2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide

C21H21ClN2O2 — CID 18129615

IUPAC2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CC=C(c2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C21H21ClN2O2/c22-19-9-5-4-8-18(19)21(26)23-13-10-20(25)24-14-11-17(12-15-24)16-6-2-1-3-7-16/h1-9,11H,10,12-15H2,(H,23,26)
InChIKeyCQHGBRGTDQASIK-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide

2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide (PubChem CID 18129615) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
PubChem CID18129615
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide
SMILESO=C(NCCC(=O)N1CC=C(c2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C21H21ClN2O2/c22-19-9-5-4-8-18(19)21(26)23-13-10-20(25)24-14-11-17(12-15-24)16-6-2-1-3-7-16/h1-9,11H,10,12-15H2,(H,23,26)
InChIKeyCQHGBRGTDQASIK-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-chlorobenzamide
CID 7964636
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
CID 9271208
2-chloro-N-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 9180673
[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl] 2,5-dichlorobenzoate
CID 9203021
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
4-tert-butyl-N-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 38168396
2-chloro-N-[3-oxo-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]benzamide
CID 9109853
N-[3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]benzamide
CID 24632245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide (CID 18129615) is 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide is O=C(NCCC(=O)N1CC=C(c2ccccc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide?
The InChIKey is CQHGBRGTDQASIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-19-9-5-4-8-18(19)21(26)23-13-10-20(25)24-14-11-17(12-15-24)16-6-2-1-3-7-16/h1-9,11H,10,12-15H2,(H,23,26).
What are the key properties of 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide?
2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide has a molecular weight of 368.86 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]benzamide is sourced from PubChem (CID 18129615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).