3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide

C18H17FN2O2 — CID 95234414

IUPAC3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1F
InChIInChI=1S/C18H17FN2O2/c1-12-7-8-13(11-15(12)19)17(22)20-16-9-10-21(18(16)23)14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyGQDWXXRCGFUMTF-INIZCTEOSA-N
MW312.34 g/mol
LogP2.67
Rot. Bonds3

About 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide

3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 95234414) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID95234414
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1F
InChIInChI=1S/C18H17FN2O2/c1-12-7-8-13(11-15(12)19)17(22)20-16-9-10-21(18(16)23)14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyGQDWXXRCGFUMTF-INIZCTEOSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
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-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzamide
CID 71839042
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
3-fluoro-4-iodo-N-[(3R)-2-oxo-1-phenylazetidin-3-yl]benzamide
CID 97350110
3,4-bis(difluoromethoxy)-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10025470
4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524592
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
1-(2,4-dimethylphenyl)-3-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95269169

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 95234414) is 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is GQDWXXRCGFUMTF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-7-8-13(11-15(12)19)17(22)20-16-9-10-21(18(16)23)14-5-3-2-4-6-14/h2-8,11,16H,9-10H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95234414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).