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

C18H17ClN2O2 — CID 17172890

IUPAC3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-15-5-3-4-14(12-15)17(22)20-16-8-6-13(7-9-16)18(23)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2,(H,20,22)
InChIKeyJMNRCSDTLFJQGW-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.83
Rot. Bonds3

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

3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 17172890) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID17172890
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c19-15-5-3-4-14(12-15)17(22)20-16-8-6-13(7-9-16)18(23)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2,(H,20,22)
InChIKeyJMNRCSDTLFJQGW-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
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
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
CID 110314357
3-chloro-N-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42747317
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 17172890) is 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is JMNRCSDTLFJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-5-3-4-14(12-15)17(22)20-16-8-6-13(7-9-16)18(23)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2,(H,20,22).
What are the key properties of 3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 328.80 g/mol, XLogP of 3.83, 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-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17172890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).