2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide

C23H20N2O2 — CID 44552144

IUPAC2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(NC(=O)C2c3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)24-22(26)21-19-9-5-6-10-20(19)23(27)25(21)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,26)
InChIKeyULLUPCCTUWBWRR-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.33
Rot. Bonds4

About 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide

2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide (PubChem CID 44552144) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
PubChem CID44552144
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
SMILESCc1ccc(NC(=O)C2c3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)24-22(26)21-19-9-5-6-10-20(19)23(27)25(21)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,26)
InChIKeyULLUPCCTUWBWRR-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3-(4-methylanilino)-3H-isoindol-1-one
CID 20866641
(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92714956
N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide
CID 46256528
N-tert-butyl-6-[(3,5-dimethylphenyl)methyl]-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53242441
(3R,4S)-2-(2-methoxyethyl)-N-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020450
N-(2,6-dimethylphenyl)-2-[(2-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 24803449
3-(4-acetylanilino)-2-benzyl-3H-isoindol-1-one
CID 20866635
N-[(4-cyanophenyl)methyl]-3-oxo-2-[(4-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
CID 68774221
N-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 20873291
N-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68772752
(1S)-2-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 92714955
(3S,4S)-2-[(4-methylphenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-oxo-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 171473004

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The IUPAC name of 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide (CID 44552144) is 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide is Cc1ccc(NC(=O)C2c3ccccc3C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
The InChIKey is ULLUPCCTUWBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16-11-13-18(14-12-16)24-22(26)21-19-9-5-6-10-20(19)23(27)25(21)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,24,26).
What are the key properties of 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide?
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide is sourced from PubChem (CID 44552144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).