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

C23H22N2O2 — CID 7547797

IUPACN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3ccc4ccccc4c3)CC2=O)cc1C
InChIInChI=1S/C23H22N2O2/c1-15-7-10-21(11-16(15)2)25-14-20(13-22(25)26)24-23(27)19-9-8-17-5-3-4-6-18(17)12-19/h3-12,20H,13-14H2,1-2H3,(H,24,27)/t20-/m0/s1
InChIKeyFZMYROJQOFPYOI-FQEVSTJZSA-N
MW358.44 g/mol
LogP3.99
Rot. Bonds3

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

N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide (PubChem CID 7547797) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
PubChem CID7547797
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
SMILESCc1ccc(N2C[C@@H](NC(=O)c3ccc4ccccc4c3)CC2=O)cc1C
InChIInChI=1S/C23H22N2O2/c1-15-7-10-21(11-16(15)2)25-14-20(13-22(25)26)24-23(27)19-9-8-17-5-3-4-6-18(17)12-19/h3-12,20H,13-14H2,1-2H3,(H,24,27)/t20-/m0/s1
InChIKeyFZMYROJQOFPYOI-FQEVSTJZSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 18573384
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7547623
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7255471
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzamide
CID 7547730
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 7547727
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 43970886
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 16822152
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide (CID 7547797) is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide is Cc1ccc(N2C[C@@H](NC(=O)c3ccc4ccccc4c3)CC2=O)cc1C.
What is the InChIKey of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
The InChIKey is FZMYROJQOFPYOI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-7-10-21(11-16(15)2)25-14-20(13-22(25)26)24-23(27)19-9-8-17-5-3-4-6-18(17)12-19/h3-12,20H,13-14H2,1-2H3,(H,24,27)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide?
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 7547797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).