N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide

C21H17FN2O2 — CID 7255471

IUPACN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17FN2O2/c22-17-7-9-19(10-8-17)24-13-18(12-20(24)25)23-21(26)16-6-5-14-3-1-2-4-15(14)11-16/h1-11,18H,12-13H2,(H,23,26)/t18-/m0/s1
InChIKeyXTERHDXECDMLAB-SFHVURJKSA-N
MW348.38 g/mol
LogP3.51
Rot. Bonds3

About N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide

N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide (PubChem CID 7255471) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
PubChem CID7255471
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC NameN-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C21H17FN2O2/c22-17-7-9-19(10-8-17)24-13-18(12-20(24)25)23-21(26)16-6-5-14-3-1-2-4-15(14)11-16/h1-11,18H,12-13H2,(H,23,26)/t18-/m0/s1
InChIKeyXTERHDXECDMLAB-SFHVURJKSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563649
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-phenylbenzamide
CID 7563663
4-fluoro-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7255232
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
2-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563633
2,6-difluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971184
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide (CID 7255471) is N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide is O=C(N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is XTERHDXECDMLAB-SFHVURJKSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-17-7-9-19(10-8-17)24-13-18(12-20(24)25)23-21(26)16-6-5-14-3-1-2-4-15(14)11-16/h1-11,18H,12-13H2,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 7255471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).