2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide

C23H28ClN3O — CID 2954012

IUPAC2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1N1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C23H28ClN3O/c24-20-10-4-3-9-19(20)23(28)25-21-12-11-18(26-13-5-1-6-14-26)17-22(21)27-15-7-2-8-16-27/h3-4,9-12,17H,1-2,5-8,13-16H2,(H,25,28)
InChIKeyKUNUOKRMDSYWIR-UHFFFAOYSA-N
MW397.95 g/mol
LogP5.57
Rot. Bonds4

About 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide

2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide (PubChem CID 2954012) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
PubChem CID2954012
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1N1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C23H28ClN3O/c24-20-10-4-3-9-19(20)23(28)25-21-12-11-18(26-13-5-1-6-14-26)17-22(21)27-15-7-2-8-16-27/h3-4,9-12,17H,1-2,5-8,13-16H2,(H,25,28)
InChIKeyKUNUOKRMDSYWIR-UHFFFAOYSA-N
XLogP5.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
2-[(2-chlorobenzoyl)amino]-5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoic acid
CID 50781058
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-chlorobenzoyl)amino]benzoic acid
CID 50781002
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 50782404
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1063788
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
6-bromo-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]pyridine-2-carboxamide
CID 151398245
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide (CID 2954012) is 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide is O=C(Nc1ccc(N2CCCCC2)cc1N1CCCCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide?
The InChIKey is KUNUOKRMDSYWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c24-20-10-4-3-9-19(20)23(28)25-21-12-11-18(26-13-5-1-6-14-26)17-22(21)27-15-7-2-8-16-27/h3-4,9-12,17H,1-2,5-8,13-16H2,(H,25,28).
What are the key properties of 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide?
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide has a molecular weight of 397.95 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 2954012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).