carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene

C172H164BCl4FN20O17 — CID 160981248

IUPACcarbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene
SMILESCCOC(=O)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.CCc1ccc(B(O)O)cc1.CN(C)c1ccccc1.CN(O)C(=O)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.ClC1=Nc2ccccc2N(C2CC2)c2ccccc21.NC1CC1.Nc1ccccc1NC1CC1.O=C(Cc1ccccc1NC1CC1)c1ccccc1Cl.O=C(Cl)c1ccccc1Cl.O=C(NO)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.O=C1Nc2ccccc2N(C2CC2)c2ccccc21.O=C=O.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1CC1
InChIInChI=1S/C25H22N2O2.C24H21N3O2.C23H19N3O2.C17H16ClNO.C16H13ClN2.C16H14N2O.C9H10N2O2.C9H12N2.C8H11BO2.C8H11N.C7H4Cl2O.C6H4FNO2.C3H7N.CO2/c1-2-29-25(28)18-13-11-17(12-14-18)24-20-7-3-5-9-22(20)27(19-15-16-19)23-10-6-4-8-21(23)26-24;1-26(29)24(28)17-12-10-16(11-13-17)23-19-6-2-4-8-21(19)27(18-14-15-18)22-9-5-3-7-20(22)25-23;27-23(25-28)16-11-9-15(10-12-16)22-18-5-1-3-7-20(18)26(17-13-14-17)21-8-4-2-6-19(21)24-22;18-15-7-3-2-6-14(15)17(20)11-12-5-1-4-8-16(12)19-13-9-10-13;17-16-12-5-1-3-7-14(12)19(11-9-10-11)15-8-4-2-6-13(15)18-16;19-16-12-5-1-3-7-14(12)18(11-9-10-11)15-8-4-2-6-13(15)17-16;12-11(13)9-4-2-1-3-8(9)10-7-5-6-7;10-8-3-1-2-4-9(8)11-7-5-6-7;1-2-7-3-5-8(6-4-7)9(10)11;1-9(2)8-6-4-3-5-7-8;8-6-4-2-1-3-5(6)7(9)10;7-5-3-1-2-4-6(5)8(9)10;4-3-1-2-3;2-1-3/h3-14,19H,2,15-16H2,1H3;2-13,18,29H,14-15H2,1H3;1-12,17,28H,13-14H2,(H,25,27);1-8,13,19H,9-11H2;1-8,11H,9-10H2;1-8,11H,9-10H2,(H,17,19);1-4,7,10H,5-6H2;1-4,7,11H,5-6,10H2;3-6,10-11H,2H2,1H3;3-7H,1-2H3;2*1-4H;3H,1-2,4H2;
InChIKeySZNUJTNMJUDXCM-UHFFFAOYSA-N
MW2954.95 g/mol
LogP37.35
Rot. Bonds27

About carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene

carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene (PubChem CID 160981248) has the molecular formula C172H164BCl4FN20O17 and a molecular weight of 2954.95 g/mol. Its IUPAC name is carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene.

Molecular Properties

Compound Namecarbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene
PubChem CID160981248
Molecular FormulaC172H164BCl4FN20O17
Molecular Weight2954.95 g/mol
Exact Mass2951.14
IUPAC Namecarbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene
SMILESCCOC(=O)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.CCc1ccc(B(O)O)cc1.CN(C)c1ccccc1.CN(O)C(=O)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.ClC1=Nc2ccccc2N(C2CC2)c2ccccc21.NC1CC1.Nc1ccccc1NC1CC1.O=C(Cc1ccccc1NC1CC1)c1ccccc1Cl.O=C(Cl)c1ccccc1Cl.O=C(NO)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.O=C1Nc2ccccc2N(C2CC2)c2ccccc21.O=C=O.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1CC1
InChIInChI=1S/C25H22N2O2.C24H21N3O2.C23H19N3O2.C17H16ClNO.C16H13ClN2.C16H14N2O.C9H10N2O2.C9H12N2.C8H11BO2.C8H11N.C7H4Cl2O.C6H4FNO2.C3H7N.CO2/c1-2-29-25(28)18-13-11-17(12-14-18)24-20-7-3-5-9-22(20)27(19-15-16-19)23-10-6-4-8-21(23)26-24;1-26(29)24(28)17-12-10-16(11-13-17)23-19-6-2-4-8-21(19)27(18-14-15-18)22-9-5-3-7-20(22)25-23;27-23(25-28)16-11-9-15(10-12-16)22-18-5-1-3-7-20(18)26(17-13-14-17)21-8-4-2-6-19(21)24-22;18-15-7-3-2-6-14(15)17(20)11-12-5-1-4-8-16(12)19-13-9-10-13;17-16-12-5-1-3-7-14(12)19(11-9-10-11)15-8-4-2-6-13(15)18-16;19-16-12-5-1-3-7-14(12)18(11-9-10-11)15-8-4-2-6-13(15)17-16;12-11(13)9-4-2-1-3-8(9)10-7-5-6-7;10-8-3-1-2-4-9(8)11-7-5-6-7;1-2-7-3-5-8(6-4-7)9(10)11;1-9(2)8-6-4-3-5-7-8;8-6-4-2-1-3-5(6)7(9)10;7-5-3-1-2-4-6(5)8(9)10;4-3-1-2-3;2-1-3/h3-14,19H,2,15-16H2,1H3;2-13,18,29H,14-15H2,1H3;1-12,17,28H,13-14H2,(H,25,27);1-8,13,19H,9-11H2;1-8,11H,9-10H2;1-8,11H,9-10H2,(H,17,19);1-4,7,10H,5-6H2;1-4,7,11H,5-6,10H2;3-6,10-11H,2H2,1H3;3-7H,1-2H3;2*1-4H;3H,1-2,4H2;
InChIKeySZNUJTNMJUDXCM-UHFFFAOYSA-N
XLogP37.35
TPSA497.30 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002954.95
LogP ≤ 537.35
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene with MolForge

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Related Compounds

5H-benzo[b][1,4]benzoxazepin-6-one;6-chloro-8-fluorobenzo[b][1,4]benzoxazepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(8-fluorobenzo[b][1,4]benzoxazepin-6-yl)benzoate;4-(8-fluorobenzo[b][1,4]benzoxazepin-6-yl)-N-hydroxybenzamide;1-fluoro-2-nitrobenzene;methane;methyl 2-(2-aminophenoxy)-5-fluorobenzoate;methyl 5-fluoro-2-hydroxybenzoate;methyl 5-fluoro-2-(2-nitrophenoxy)benzoate;phosphoryl trichloride
CID 161076701
2-chloro-N-[2-(cyclopropylamino)phenyl]pyridine-3-carboxamide;2-chloropyridine-3-carbonyl chloride;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;N-cyclopropyl-2-nitroaniline;4-(11-cyclopropyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-6-yl)-N-hydroxybutanamide;11-cyclopropyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one;ethanol;1-fluoro-2-nitrobenzene;methyl 4-(11-cyclopropyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-6-yl)butanoate
CID 160537952
1-[2-(2-aminophenoxy)-4-(trifluoromethyl)phenyl]ethanone;6-chloro-9-methylbenzo[b][1,4]benzoxazepine;5-chloro-2-methyl-5,6-dihydrobenzo[b][1]benzoxepine;(4-ethoxycarbonylphenyl)boronic acid;ethyl 4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzoate;1-fluoro-2-nitrobenzene;N-hydroxy-4-(9-methylbenzo[b][1,4]benzoxazepin-6-yl)benzamide;2-hydroxy-4-(trifluoromethyl)benzoic acid;methyl 2-hydroxy-4-methylbenzoate;1-[2-(2-nitrophenoxy)-4-(trifluoromethyl)phenyl]ethanone;phosphoryl trichloride;trimethylalumane
CID 160998498
8-fluoro-5H-benzo[b][1,4]benzoxazepin-6-one;1-fluoro-2-nitrobenzene;4-[2-(8-fluoro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)ethoxy]-N-hydroxybenzamide;methyl 2-(2-aminophenoxy)-5-fluorobenzoate;methyl 4-(2-bromoethoxy)benzoate;methyl 5-fluoro-2-hydroxybenzoate;methyl 5-fluoro-2-(2-nitrophenoxy)benzoate;methyl 4-[2-(8-fluoro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)ethoxy]benzoate
CID 159169262
CID 158471083
CID 158471083
acetic acid;8-(3-bicyclo[3.3.1]nonanyl)-8-azabicyclo[3.2.1]octan-3-amine;8-(3-bicyclo[3.3.1]nonanyl)-8-azabicyclo[3.2.1]octan-3-one;2-N-[(1R,5S)-8-(3-bicyclo[3.3.1]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]benzene-1,2-diamine;4-[(1R,5S)-8-(3-bicyclo[3.3.1]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;8-(3-bicyclo[3.3.1]nonanyl)-N-(2-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine;diethyl 2-oxopropanedioate;ethyl 4-[(1R,5S)-8-(3-bicyclo[3.3.1]nonanyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate;1-fluoro-2-nitrobenzene;methane;toluene
CID 161389725
ethyl 4-benzo[b][1,4]benzoxazepin-6-ylbenzoate;ethyl 4-(5-methylbenzo[b][1,4]benzoxazepin-5-ium-6-yl)benzoate;N-hydroxy-4-(5-methylbenzo[b][1,4]benzoxazepin-5-ium-6-yl)benzamide
CID 158420491
2-N-cyclohexylbenzene-1,2-diamine;2-N-cyclohexyl-1-N-methylbenzene-1,2-diamine;N-cyclohexyl-2-nitroaniline;1-fluoro-2-nitrobenzene
CID 162233576
dipotassium;cyclopropanamine;N-cyclopropyl-2-nitroaniline;1-fluoro-2-nitrobenzene;hydride;oxido formate
CID 159537464
2-amino-5-chlorophenol;10-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-ylphenoxazine;bis(tert-butyl (1S,5R)-3-(4-chloro-2-hydroxyanilino)-8-azabicyclo[3.2.1]octane-8-carboxylate);tert-butyl (1S,5R)-3-(3-chlorophenoxazin-10-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-(3-pyridin-3-ylphenoxazin-10-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;1-fluoro-2-nitrobenzene;2-phenylacetaldehyde;pyridin-3-ylboronic acid
CID 158078758
2-N-[(1R,5S)-8-(4-tert-butylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]benzene-1,2-diamine;(1R,5S)-8-(4-tert-butylcyclohexyl)-N-(2-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine;diethyl 2-oxopropanedioate;ethyl 4-[(1R,5S)-8-(4-tert-butylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxaline-2-carboxylate;molecular hydrogen;hydrate
CID 158652745
2-(aminomethyl)phenol;cyclohexanone;bis(ethyl 4-amino-3-[(2-hydroxyphenyl)methylamino]benzoate);ethyl 4-(cyclohexylmethyl)-3-[(2-hydroxyphenyl)methylamino]benzoate;ethyl 3-fluoro-4-nitrobenzoate;ethyl 3-[(2-hydroxyphenyl)methylamino]-4-nitrobenzoate;zinc
CID 157294481

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene?
The IUPAC name of carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene (CID 160981248) is carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene.
What is the SMILES notation for carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene?
The canonical SMILES for carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene is CCOC(=O)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.CCc1ccc(B(O)O)cc1.CN(C)c1ccccc1.CN(O)C(=O)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.ClC1=Nc2ccccc2N(C2CC2)c2ccccc21.NC1CC1.Nc1ccccc1NC1CC1.O=C(Cc1ccccc1NC1CC1)c1ccccc1Cl.O=C(Cl)c1ccccc1Cl.O=C(NO)c1ccc(C2=Nc3ccccc3N(C3CC3)c3ccccc32)cc1.O=C1Nc2ccccc2N(C2CC2)c2ccccc21.O=C=O.O=[N+]([O-])c1ccccc1F.O=[N+]([O-])c1ccccc1NC1CC1.
What is the InChIKey of carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene?
The InChIKey is SZNUJTNMJUDXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2.C24H21N3O2.C23H19N3O2.C17H16ClNO.C16H13ClN2.C16H14N2O.C9H10N2O2.C9H12N2.C8H11BO2.C8H11N.C7H4Cl2O.C6H4FNO2.C3H7N.CO2/c1-2-29-25(28)18-13-11-17(12-14-18)24-20-7-3-5-9-22(20)27(19-15-16-19)23-10-6-4-8-21(23)26-24;1-26(29)24(28)17-12-10-16(11-13-17)23-19-6-2-4-8-21(19)27(18-14-15-18)22-9-5-3-7-20(22)25-23;27-23(25-28)16-11-9-15(10-12-16)22-18-5-1-3-7-20(18)26(17-13-14-17)21-8-4-2-6-19(21)24-22;18-15-7-3-2-6-14(15)17(20)11-12-5-1-4-8-16(12)19-13-9-10-13;17-16-12-5-1-3-7-14(12)19(11-9-10-11)15-8-4-2-6-13(15)18-16;19-16-12-5-1-3-7-14(12)18(11-9-10-11)15-8-4-2-6-13(15)17-16;12-11(13)9-4-2-1-3-8(9)10-7-5-6-7;10-8-3-1-2-4-9(8)11-7-5-6-7;1-2-7-3-5-8(6-4-7)9(10)11;1-9(2)8-6-4-3-5-7-8;8-6-4-2-1-3-5(6)7(9)10;7-5-3-1-2-4-6(5)8(9)10;4-3-1-2-3;2-1-3/h3-14,19H,2,15-16H2,1H3;2-13,18,29H,14-15H2,1H3;1-12,17,28H,13-14H2,(H,25,27);1-8,13,19H,9-11H2;1-8,11H,9-10H2;1-8,11H,9-10H2,(H,17,19);1-4,7,10H,5-6H2;1-4,7,11H,5-6,10H2;3-6,10-11H,2H2,1H3;3-7H,1-2H3;2*1-4H;3H,1-2,4H2;.
What are the key properties of carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene?
carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene has a molecular weight of 2954.95 g/mol, XLogP of 37.35, 27 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-chlorobenzoyl chloride;6-chloro-11-cyclopropylbenzo[b][1,4]benzodiazepine;1-(2-chlorophenyl)-2-[2-(cyclopropylamino)phenyl]ethanone;cyclopropanamine;2-N-cyclopropylbenzene-1,2-diamine;11-cyclopropyl-5H-benzo[b][1,4]benzodiazepin-6-one;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxybenzamide;4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)-N-hydroxy-N-methylbenzamide;N-cyclopropyl-2-nitroaniline;N,N-dimethylaniline;ethyl 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-6-yl)benzoate;(4-ethylphenyl)boronic acid;1-fluoro-2-nitrobenzene is sourced from PubChem (CID 160981248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).