4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide

C24H24ClN3O — CID 90962718

IUPAC4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C24H24ClN3O/c25-22-11-10-20(24(29)27-13-16-28-14-3-4-15-28)17-21(22)18-6-8-19(9-7-18)23-5-1-2-12-26-23/h1-2,5-12,17H,3-4,13-16H2,(H,27,29)
InChIKeyKTURTLXDTKARFC-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.89
Rot. Bonds6

About 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide

4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 90962718) has the molecular formula C24H24ClN3O and a molecular weight of 405.93 g/mol. Its IUPAC name is 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID90962718
Molecular FormulaC24H24ClN3O
Molecular Weight405.93 g/mol
Exact Mass405.16
IUPAC Name4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C24H24ClN3O/c25-22-11-10-20(24(29)27-13-16-28-14-3-4-15-28)17-21(22)18-6-8-19(9-7-18)23-5-1-2-12-26-23/h1-2,5-12,17H,3-4,13-16H2,(H,27,29)
InChIKeyKTURTLXDTKARFC-UHFFFAOYSA-N
XLogP4.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
[2-[(4-chloro-3-quinoxalin-2-ylphenyl)carbamoyl]-5-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]chloranium
CID 163491843
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
CID 69277588
4-chloro-3-(4-phenylphenyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 58791112
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 90962718) is 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1ccc(Cl)c(-c2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is KTURTLXDTKARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O/c25-22-11-10-20(24(29)27-13-16-28-14-3-4-15-28)17-21(22)18-6-8-19(9-7-18)23-5-1-2-12-26-23/h1-2,5-12,17H,3-4,13-16H2,(H,27,29).
What are the key properties of 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 405.93 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-pyridin-2-ylphenyl)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 90962718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).