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

C18H18N2O3 — CID 95234404

IUPAC4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-7-13(8-10-15)17(21)19-16-11-12-20(18(16)22)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeySGXHOEZKRHDKNR-INIZCTEOSA-N
MW310.35 g/mol
LogP2.23
Rot. Bonds4

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

4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (PubChem CID 95234404) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
PubChem CID95234404
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H18N2O3/c1-23-15-9-7-13(8-10-15)17(21)19-16-11-12-20(18(16)22)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,21)/t16-/m0/s1
InChIKeySGXHOEZKRHDKNR-INIZCTEOSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524569
4-(dimethylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 71839219
3,5-dimethyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234364
3-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 164634853
3-fluoro-4-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234414
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
CID 119341784
4-[(carbamoylamino)methyl]-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 136524592
3-methoxy-N-[2-oxo-2-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]ethyl]benzamide
CID 136524635
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)benzamide
CID 110751385
4-amino-3-nitro-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95239356
4-methoxy-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
CID 126780344

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide (CID 95234404) is 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is COc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
The InChIKey is SGXHOEZKRHDKNR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-15-9-7-13(8-10-15)17(21)19-16-11-12-20(18(16)22)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide?
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95234404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).