4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

C19H19ClN2O2 — CID 16918995

IUPAC4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-13-2-8-17(9-3-13)22-12-14(10-18(22)23)11-21-19(24)15-4-6-16(20)7-5-15/h2-9,14H,10-12H2,1H3,(H,21,24)
InChIKeyMSMWOEJQYPWTTO-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide

4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (PubChem CID 16918995) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
PubChem CID16918995
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
SMILESCc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)CC2=O)cc1
InChIInChI=1S/C19H19ClN2O2/c1-13-2-8-17(9-3-13)22-12-14(10-18(22)23)11-21-19(24)15-4-6-16(20)7-5-15/h2-9,14H,10-12H2,1H3,(H,21,24)
InChIKeyMSMWOEJQYPWTTO-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 40876664
4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059
3,5-dimethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918985
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16918866
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16919018
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
ethyl N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]carbamate
CID 40896854
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide (CID 16918995) is 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is Cc1ccc(N2CC(CNC(=O)c3ccc(Cl)cc3)CC2=O)cc1.
What is the InChIKey of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MSMWOEJQYPWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-2-8-17(9-3-13)22-12-14(10-18(22)23)11-21-19(24)15-4-6-16(20)7-5-15/h2-9,14H,10-12H2,1H3,(H,21,24).
What are the key properties of 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide?
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 16918995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).