3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide

C18H18N2O2 — CID 164634853

IUPAC3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-5-7-14(12-13)17(21)19-16-10-11-20(18(16)22)15-8-3-2-4-9-15/h2-9,12,16H,10-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyGPBFDJVMWYDWIX-INIZCTEOSA-N
MW294.35 g/mol
LogP2.53
Rot. Bonds3

About 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide

3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 164634853) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID164634853
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-5-7-14(12-13)17(21)19-16-10-11-20(18(16)22)15-8-3-2-4-9-15/h2-9,12,16H,10-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeyGPBFDJVMWYDWIX-INIZCTEOSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
N-[1-(4-fluorophenyl)-2-oxoazetidin-3-yl]-3-methylbenzamide
CID 136522257
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
4-hydroxy-N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-(prop-2-enoylamino)benzamide
CID 167762172
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
N-[1-(3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166413728
5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 164634853) is 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is Cc1cccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is GPBFDJVMWYDWIX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-6-5-7-14(12-13)17(21)19-16-10-11-20(18(16)22)15-8-3-2-4-9-15/h2-9,12,16H,10-11H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 164634853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).