N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide

C18H17ClN2O2 — CID 16822304

IUPACN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12-2-4-13(5-3-12)18(23)20-15-10-17(22)21(11-15)16-8-6-14(19)7-9-16/h2-9,15H,10-11H2,1H3,(H,20,23)
InChIKeyDJVIOSZCKPOOAV-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.18
Rot. Bonds3

About N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide

N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide (PubChem CID 16822304) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
PubChem CID16822304
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12-2-4-13(5-3-12)18(23)20-15-10-17(22)21(11-15)16-8-6-14(19)7-9-16/h2-9,15H,10-11H2,1H3,(H,20,23)
InChIKeyDJVIOSZCKPOOAV-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
4-tert-butyl-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563819
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 16822307
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 7563827
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-ethoxybenzamide
CID 16822308
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
4-butoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547181
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methyl-4-oxopyran-2-carboxamide
CID 91785260

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide (CID 16822304) is N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide?
The InChIKey is DJVIOSZCKPOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12-2-4-13(5-3-12)18(23)20-15-10-17(22)21(11-15)16-8-6-14(19)7-9-16/h2-9,15H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide?
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide has a molecular weight of 328.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 16822304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).