aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride

C158H165BrCl7FN19O22P — CID 167554638

IUPACaniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride
SMILESCCP(OBr)(c1ccccc1)(c1ccccc1)c1ccccc1.CO/C=C\c1cc(C(=O)N(C)OC)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CO/C=C\c1cc(C(=O)Nc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CON(C)C(=O)c1ccc(N2CC[C@H](Oc3ncccc3Cl)C2)c(C=O)c1.COc1cc(C(=O)N(C)OC)ccc1F.Cl.Clc1cccnc1O[C@H]1CCNC1.Nc1ccccc1.O=C(Nc1ccccc1)c1ccc(N2CC[C@H](Oc3ncccc3Cl)C2)c(CCO)c1.O=CCc1cc(C(=O)Nc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C25H24ClN3O3.C24H24ClN3O3.C24H22ClN3O3.C21H24ClN3O4.C20H20BrOP.C19H20ClN3O4.C10H12FNO3.C9H11ClN2O.C6H7N.ClH/c1-31-15-12-18-16-19(24(30)28-20-6-3-2-4-7-20)9-10-23(18)29-14-11-21(17-29)32-25-22(26)8-5-13-27-25;2*25-21-7-4-12-26-24(21)31-20-10-13-28(16-20)22-9-8-18(15-17(22)11-14-29)23(30)27-19-5-2-1-3-6-19;1-24(28-3)21(26)16-6-7-19(15(13-16)9-12-27-2)25-11-8-17(14-25)29-20-18(22)5-4-10-23-20;1-2-23(22-21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-22(26-2)19(25)13-5-6-17(14(10-13)12-24)23-9-7-15(11-23)27-18-16(20)4-3-8-21-18;1-12(15-3)10(13)7-4-5-8(11)9(6-7)14-2;10-8-2-1-4-12-9(8)13-7-3-5-11-6-7;7-6-4-2-1-3-5-6;/h2-10,12-13,15-16,21H,11,14,17H2,1H3,(H,28,30);1-9,12,15,20,29H,10-11,13-14,16H2,(H,27,30);1-9,12,14-15,20H,10-11,13,16H2,(H,27,30);4-7,9-10,12-13,17H,8,11,14H2,1-3H3;3-17H,2H2,1H3;3-6,8,10,12,15H,7,9,11H2,1-2H3;4-6H,1-3H3;1-2,4,7,11H,3,5-6H2;1-5H,7H2;1H/b15-12-;;;12-9-;;;;;;/t21-;2*20-;17-;;15-;;7-;;/m0000.0.0../s1
InChIKeyORNAMEUPQYBGLE-OVWQOPCUSA-N
MW3060.22 g/mol
LogP29.72
Rot. Bonds44

About aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride

aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride (PubChem CID 167554638) has the molecular formula C158H165BrCl7FN19O22P and a molecular weight of 3060.22 g/mol. Its IUPAC name is aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Nameaniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride
PubChem CID167554638
Molecular FormulaC158H165BrCl7FN19O22P
Molecular Weight3060.22 g/mol
Exact Mass3053.91
IUPAC Nameaniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride
SMILESCCP(OBr)(c1ccccc1)(c1ccccc1)c1ccccc1.CO/C=C\c1cc(C(=O)N(C)OC)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CO/C=C\c1cc(C(=O)Nc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CON(C)C(=O)c1ccc(N2CC[C@H](Oc3ncccc3Cl)C2)c(C=O)c1.COc1cc(C(=O)N(C)OC)ccc1F.Cl.Clc1cccnc1O[C@H]1CCNC1.Nc1ccccc1.O=C(Nc1ccccc1)c1ccc(N2CC[C@H](Oc3ncccc3Cl)C2)c(CCO)c1.O=CCc1cc(C(=O)Nc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1
InChIInChI=1S/C25H24ClN3O3.C24H24ClN3O3.C24H22ClN3O3.C21H24ClN3O4.C20H20BrOP.C19H20ClN3O4.C10H12FNO3.C9H11ClN2O.C6H7N.ClH/c1-31-15-12-18-16-19(24(30)28-20-6-3-2-4-7-20)9-10-23(18)29-14-11-21(17-29)32-25-22(26)8-5-13-27-25;2*25-21-7-4-12-26-24(21)31-20-10-13-28(16-20)22-9-8-18(15-17(22)11-14-29)23(30)27-19-5-2-1-3-6-19;1-24(28-3)21(26)16-6-7-19(15(13-16)9-12-27-2)25-11-8-17(14-25)29-20-18(22)5-4-10-23-20;1-2-23(22-21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-22(26-2)19(25)13-5-6-17(14(10-13)12-24)23-9-7-15(11-23)27-18-16(20)4-3-8-21-18;1-12(15-3)10(13)7-4-5-8(11)9(6-7)14-2;10-8-2-1-4-12-9(8)13-7-3-5-11-6-7;7-6-4-2-1-3-5-6;/h2-10,12-13,15-16,21H,11,14,17H2,1H3,(H,28,30);1-9,12,15,20,29H,10-11,13-14,16H2,(H,27,30);1-9,12,14-15,20H,10-11,13,16H2,(H,27,30);4-7,9-10,12-13,17H,8,11,14H2,1-3H3;3-17H,2H2,1H3;3-6,8,10,12,15H,7,9,11H2,1-2H3;4-6H,1-3H3;1-2,4,7,11H,3,5-6H2;1-5H,7H2;1H/b15-12-;;;12-9-;;;;;;/t21-;2*20-;17-;;15-;;7-;;/m0000.0.0../s1
InChIKeyORNAMEUPQYBGLE-OVWQOPCUSA-N
XLogP29.72
TPSA454.18 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.22
LogP ≤ 529.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride with MolForge

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Related Compounds

CID 167620117
CID 167620117
CID 167631723
CID 167631723
CID 167663791
CID 167663791

Frequently Asked Questions

What is the IUPAC name of aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride?
The IUPAC name of aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride (CID 167554638) is aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride.
What is the SMILES notation for aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride?
The canonical SMILES for aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride is CCP(OBr)(c1ccccc1)(c1ccccc1)c1ccccc1.CO/C=C\c1cc(C(=O)N(C)OC)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CO/C=C\c1cc(C(=O)Nc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.CON(C)C(=O)c1ccc(N2CC[C@H](Oc3ncccc3Cl)C2)c(C=O)c1.COc1cc(C(=O)N(C)OC)ccc1F.Cl.Clc1cccnc1O[C@H]1CCNC1.Nc1ccccc1.O=C(Nc1ccccc1)c1ccc(N2CC[C@H](Oc3ncccc3Cl)C2)c(CCO)c1.O=CCc1cc(C(=O)Nc2ccccc2)ccc1N1CC[C@H](Oc2ncccc2Cl)C1.
What is the InChIKey of aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride?
The InChIKey is ORNAMEUPQYBGLE-OVWQOPCUSA-N. The full InChI is InChI=1S/C25H24ClN3O3.C24H24ClN3O3.C24H22ClN3O3.C21H24ClN3O4.C20H20BrOP.C19H20ClN3O4.C10H12FNO3.C9H11ClN2O.C6H7N.ClH/c1-31-15-12-18-16-19(24(30)28-20-6-3-2-4-7-20)9-10-23(18)29-14-11-21(17-29)32-25-22(26)8-5-13-27-25;2*25-21-7-4-12-26-24(21)31-20-10-13-28(16-20)22-9-8-18(15-17(22)11-14-29)23(30)27-19-5-2-1-3-6-19;1-24(28-3)21(26)16-6-7-19(15(13-16)9-12-27-2)25-11-8-17(14-25)29-20-18(22)5-4-10-23-20;1-2-23(22-21,18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-22(26-2)19(25)13-5-6-17(14(10-13)12-24)23-9-7-15(11-23)27-18-16(20)4-3-8-21-18;1-12(15-3)10(13)7-4-5-8(11)9(6-7)14-2;10-8-2-1-4-12-9(8)13-7-3-5-11-6-7;7-6-4-2-1-3-5-6;/h2-10,12-13,15-16,21H,11,14,17H2,1H3,(H,28,30);1-9,12,15,20,29H,10-11,13-14,16H2,(H,27,30);1-9,12,14-15,20H,10-11,13,16H2,(H,27,30);4-7,9-10,12-13,17H,8,11,14H2,1-3H3;3-17H,2H2,1H3;3-6,8,10,12,15H,7,9,11H2,1-2H3;4-6H,1-3H3;1-2,4,7,11H,3,5-6H2;1-5H,7H2;1H/b15-12-;;;12-9-;;;;;;/t21-;2*20-;17-;;15-;;7-;;/m0000.0.0../s1.
What are the key properties of aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride?
aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride has a molecular weight of 3060.22 g/mol, XLogP of 29.72, 44 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-formyl-N-methoxy-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-hydroxyethyl)-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-[(Z)-2-methoxyethenyl]-N-phenylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-methoxy-3-[(Z)-2-methoxyethenyl]-N-methylbenzamide;4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(2-oxoethyl)-N-phenylbenzamide;3-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;[ethyl(triphenyl)-λ5-phosphanyl] hypobromite;4-fluoro-N,3-dimethoxy-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 167554638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).