3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

C19H19ClN2O2 — CID 2970403

IUPAC3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c20-16-6-4-5-15(13-16)18(23)21-17-9-7-14(8-10-17)19(24)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H,21,23)
InChIKeyIIMRXRQCTWQUPA-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.22
Rot. Bonds3

About 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide

3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 2970403) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID2970403
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c20-16-6-4-5-15(13-16)18(23)21-17-9-7-14(8-10-17)19(24)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H,21,23)
InChIKeyIIMRXRQCTWQUPA-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
CID 110314357
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide (CID 2970403) is 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is IIMRXRQCTWQUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-6-4-5-15(13-16)18(23)21-17-9-7-14(8-10-17)19(24)22-11-2-1-3-12-22/h4-10,13H,1-3,11-12H2,(H,21,23).
What are the key properties of 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide?
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2970403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).