4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C18H17ClN2O2 — CID 9042083

IUPAC4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12-4-7-14(8-5-12)20-18(23)13-6-9-15(19)16(11-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)
InChIKeyHCQFKALZSWBWPF-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.03
Rot. Bonds3

About 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9042083) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9042083
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12-4-7-14(8-5-12)20-18(23)13-6-9-15(19)16(11-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)
InChIKeyHCQFKALZSWBWPF-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 16564145
1-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9317879
4-chloro-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9147336
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 31383538
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9042083) is 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1.
What is the InChIKey of 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HCQFKALZSWBWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-4-7-14(8-5-12)20-18(23)13-6-9-15(19)16(11-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 328.80 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9042083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).