3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide

C20H21ClN2O2 — CID 110314357

IUPAC3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c21-17-5-3-4-16(14-17)20(25)22-18-9-6-15(7-10-18)8-11-19(24)23-12-1-2-13-23/h3-7,9-10,14H,1-2,8,11-13H2,(H,22,25)
InChIKeyHVHRQLQKWBKQBV-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.15
Rot. Bonds5

About 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide

3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide (PubChem CID 110314357) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
PubChem CID110314357
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN2O2/c21-17-5-3-4-16(14-17)20(25)22-18-9-6-15(7-10-18)8-11-19(24)23-12-1-2-13-23/h3-7,9-10,14H,1-2,8,11-13H2,(H,22,25)
InChIKeyHVHRQLQKWBKQBV-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.15
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-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710
1-[(2,4-dichlorophenyl)methyl]-3-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]urea
CID 60576943
3-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzamide
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CID 33138783
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
3-chloro-N-(4-methylphenyl)benzamide
CID 722375

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide (CID 110314357) is 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide is O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide?
The InChIKey is HVHRQLQKWBKQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-17-5-3-4-16(14-17)20(25)22-18-9-6-15(7-10-18)8-11-19(24)23-12-1-2-13-23/h3-7,9-10,14H,1-2,8,11-13H2,(H,22,25).
What are the key properties of 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide?
3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide has a molecular weight of 356.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]benzamide is sourced from PubChem (CID 110314357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).