2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride

C139H128Cl4F8N14O12S — CID 158980313

IUPAC2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride
SMILESCCOC(=O)c1[nH]ccc1-c1ccc(F)cc1.Fc1ccc(-c2ccn3c2CN(Cc2ccccc2)CC3)cc1.Fc1ccc(-c2ccn3c2CNCC3)cc1.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1.O=C(O)c1[nH]ccc1-c1ccc(F)cc1.O=C(c1[nH]ccc1-c1ccc(F)cc1)N(CCCl)Cc1ccccc1.O=C(c1[nH]ccc1-c1ccc(F)cc1)N(CCO)Cc1ccccc1.O=C1c2c(-c3ccc(F)cc3)ccn2CCN1Cc1ccccc1.O=S(Cl)Cl.OCCNCc1ccccc1
InChIInChI=1S/C20H18ClFN2O.C20H19FN2O2.C20H17FN2O.C20H19FN2.C13H9ClFNO2.C13H13FN2.C13H12FNO2.C11H8FNO2.C9H13NO.Cl2OS/c21-11-13-24(14-15-4-2-1-3-5-15)20(25)19-18(10-12-23-19)16-6-8-17(22)9-7-16;21-17-8-6-16(7-9-17)18-10-11-22-19(18)20(25)23(12-13-24)14-15-4-2-1-3-5-15;21-17-8-6-16(7-9-17)18-10-11-22-12-13-23(20(24)19(18)22)14-15-4-2-1-3-5-15;21-18-8-6-17(7-9-18)19-10-11-23-13-12-22(15-20(19)23)14-16-4-2-1-3-5-16;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10;14-11-3-1-10(2-4-11)12-5-7-16-8-6-15-9-13(12)16;1-2-17-13(16)12-11(7-8-15-12)9-3-5-10(14)6-4-9;12-8-3-1-7(2-4-8)9-5-6-13-10(9)11(14)15;11-7-6-10-8-9-4-2-1-3-5-9;1-4(2)3/h1-10,12,23H,11,13-14H2;1-11,22,24H,12-14H2;1-11H,12-14H2;1-11H,12-15H2;1-8H,(H,16,17);1-5,7,15H,6,8-9H2;3-8,15H,2H2,1H3;1-6,13H,(H,14,15);1-5,10-11H,6-8H2;
InChIKeyJOXIUVMKCHCCAX-UHFFFAOYSA-N
MW2512.50 g/mol
LogP30.23
Rot. Bonds30

About 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride

2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride (PubChem CID 158980313) has the molecular formula C139H128Cl4F8N14O12S and a molecular weight of 2512.50 g/mol. Its IUPAC name is 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride.

Molecular Properties

Compound Name2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride
PubChem CID158980313
Molecular FormulaC139H128Cl4F8N14O12S
Molecular Weight2512.50 g/mol
Exact Mass2508.82
IUPAC Name2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride
SMILESCCOC(=O)c1[nH]ccc1-c1ccc(F)cc1.Fc1ccc(-c2ccn3c2CN(Cc2ccccc2)CC3)cc1.Fc1ccc(-c2ccn3c2CNCC3)cc1.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1.O=C(O)c1[nH]ccc1-c1ccc(F)cc1.O=C(c1[nH]ccc1-c1ccc(F)cc1)N(CCCl)Cc1ccccc1.O=C(c1[nH]ccc1-c1ccc(F)cc1)N(CCO)Cc1ccccc1.O=C1c2c(-c3ccc(F)cc3)ccn2CCN1Cc1ccccc1.O=S(Cl)Cl.OCCNCc1ccccc1
InChIInChI=1S/C20H18ClFN2O.C20H19FN2O2.C20H17FN2O.C20H19FN2.C13H9ClFNO2.C13H13FN2.C13H12FNO2.C11H8FNO2.C9H13NO.Cl2OS/c21-11-13-24(14-15-4-2-1-3-5-15)20(25)19-18(10-12-23-19)16-6-8-17(22)9-7-16;21-17-8-6-16(7-9-17)18-10-11-22-19(18)20(25)23(12-13-24)14-15-4-2-1-3-5-15;21-17-8-6-16(7-9-17)18-10-11-22-12-13-23(20(24)19(18)22)14-15-4-2-1-3-5-15;21-18-8-6-17(7-9-18)19-10-11-23-13-12-22(15-20(19)23)14-16-4-2-1-3-5-16;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10;14-11-3-1-10(2-4-11)12-5-7-16-8-6-15-9-13(12)16;1-2-17-13(16)12-11(7-8-15-12)9-3-5-10(14)6-4-9;12-8-3-1-7(2-4-8)9-5-6-13-10(9)11(14)15;11-7-6-10-8-9-4-2-1-3-5-9;1-4(2)3/h1-10,12,23H,11,13-14H2;1-11,22,24H,12-14H2;1-11H,12-14H2;1-11H,12-15H2;1-8H,(H,16,17);1-5,7,15H,6,8-9H2;3-8,15H,2H2,1H3;1-6,13H,(H,14,15);1-5,10-11H,6-8H2;
InChIKeyJOXIUVMKCHCCAX-UHFFFAOYSA-N
XLogP30.23
TPSA325.64 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002512.50
LogP ≤ 530.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride with MolForge

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Related Compounds

2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;thionyl dichloride
CID 158886965
5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(4-phenylmethoxypiperidin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid;1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidine-3-carboxylic acid;1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxylic acid;[1-[(2S)-2-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoyl]piperidin-4-yl] acetate
CID 159926518
1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-2-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-3-carboxylic acid;1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidine-4-carboxylic acid;[1-[(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-4-oxobutanoyl]piperidin-4-yl] acetate;(2R)-4-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-2-[(4-fluorophenyl)methyl]-1-(4-phenylmethoxypiperidin-1-yl)butane-1,4-dione;1-(5-chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)-4-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 161198197
(4-methylphenyl) (1S)-6-chloro-1-[4-[4-(ethoxycarbonylamino)-3-hydroxybutoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-(methoxycarbonylamino)butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-(2-methylpropanoylamino)butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-(propoxycarbonylamino)butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;(4-methylphenyl) (1S)-6-chloro-1-[4-[3-hydroxy-4-(pyridine-2-carbonylamino)butoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 161892758

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride?
The IUPAC name of 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride (CID 158980313) is 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride.
What is the SMILES notation for 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride?
The canonical SMILES for 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride is CCOC(=O)c1[nH]ccc1-c1ccc(F)cc1.Fc1ccc(-c2ccn3c2CN(Cc2ccccc2)CC3)cc1.Fc1ccc(-c2ccn3c2CNCC3)cc1.O=C(Nc1ccc(F)c(Cl)c1)Oc1ccccc1.O=C(O)c1[nH]ccc1-c1ccc(F)cc1.O=C(c1[nH]ccc1-c1ccc(F)cc1)N(CCCl)Cc1ccccc1.O=C(c1[nH]ccc1-c1ccc(F)cc1)N(CCO)Cc1ccccc1.O=C1c2c(-c3ccc(F)cc3)ccn2CCN1Cc1ccccc1.O=S(Cl)Cl.OCCNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride?
The InChIKey is JOXIUVMKCHCCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O.C20H19FN2O2.C20H17FN2O.C20H19FN2.C13H9ClFNO2.C13H13FN2.C13H12FNO2.C11H8FNO2.C9H13NO.Cl2OS/c21-11-13-24(14-15-4-2-1-3-5-15)20(25)19-18(10-12-23-19)16-6-8-17(22)9-7-16;21-17-8-6-16(7-9-17)18-10-11-22-19(18)20(25)23(12-13-24)14-15-4-2-1-3-5-15;21-17-8-6-16(7-9-17)18-10-11-22-12-13-23(20(24)19(18)22)14-15-4-2-1-3-5-15;21-18-8-6-17(7-9-18)19-10-11-23-13-12-22(15-20(19)23)14-16-4-2-1-3-5-16;14-11-8-9(6-7-12(11)15)16-13(17)18-10-4-2-1-3-5-10;14-11-3-1-10(2-4-11)12-5-7-16-8-6-15-9-13(12)16;1-2-17-13(16)12-11(7-8-15-12)9-3-5-10(14)6-4-9;12-8-3-1-7(2-4-8)9-5-6-13-10(9)11(14)15;11-7-6-10-8-9-4-2-1-3-5-9;1-4(2)3/h1-10,12,23H,11,13-14H2;1-11,22,24H,12-14H2;1-11H,12-14H2;1-11H,12-15H2;1-8H,(H,16,17);1-5,7,15H,6,8-9H2;3-8,15H,2H2,1H3;1-6,13H,(H,14,15);1-5,10-11H,6-8H2;.
What are the key properties of 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride?
2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride has a molecular weight of 2512.50 g/mol, XLogP of 30.23, 30 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)ethanol;N-benzyl-N-(2-chloroethyl)-3-(4-fluorophenyl)-1H-pyrrole-2-carboxamide;2-benzyl-8-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-benzyl-8-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;N-benzyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide;ethyl 3-(4-fluorophenyl)-1H-pyrrole-2-carboxylate;3-(4-fluorophenyl)-1H-pyrrole-2-carboxylic acid;8-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine;phenyl N-(3-chloro-4-fluorophenyl)carbamate;thionyl dichloride is sourced from PubChem (CID 158980313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).