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

C18H17ClN2O2 — CID 7760528

IUPACN-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c1-12-4-9-16(15(19)11-12)20-18(23)13-5-7-14(8-6-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)
InChIKeyZZWOLQYSEWWNKF-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.03
Rot. Bonds3

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

N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 7760528) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID7760528
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c1-12-4-9-16(15(19)11-12)20-18(23)13-5-7-14(8-6-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23)
InChIKeyZZWOLQYSEWWNKF-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

N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
N-(4-methyl-2-propoxyphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 55901466
N-[2-(4-methylphenoxy)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24681364
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27826911
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28635843
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17416795
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 134044794
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide (CID 7760528) is N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZZWOLQYSEWWNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-4-9-16(15(19)11-12)20-18(23)13-5-7-14(8-6-13)21-10-2-3-17(21)22/h4-9,11H,2-3,10H2,1H3,(H,20,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-chloro-4-methylphenyl)-4-(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 N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 7760528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).