N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide

C23H21N3O2 — CID 46256528

IUPACN-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2c3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16(27)24-18-11-13-19(14-12-18)25-22-20-9-5-6-10-21(20)23(28)26(22)15-17-7-3-2-4-8-17/h2-14,22,25H,15H2,1H3,(H,24,27)
InChIKeyNVHZTPDCZVKYJU-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.41
Rot. Bonds5

About N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide

N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide (PubChem CID 46256528) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide
PubChem CID46256528
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2c3ccccc3C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16(27)24-18-11-13-19(14-12-18)25-22-20-9-5-6-10-21(20)23(28)26(22)15-17-7-3-2-4-8-17/h2-14,22,25H,15H2,1H3,(H,24,27)
InChIKeyNVHZTPDCZVKYJU-UHFFFAOYSA-N
XLogP4.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-acetylanilino)-2-benzyl-3H-isoindol-1-one
CID 20866635
2-benzyl-3-(4-methylanilino)-3H-isoindol-1-one
CID 20866641
N-[4-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide
CID 92714418
2-benzyl-3-(4-bromo-3-methylanilino)-3H-isoindol-1-one
CID 20866710
2-benzyl-3-(3,5-dimethoxyanilino)-3H-isoindol-1-one
CID 20866652
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
2-benzyl-3-(2-ethylanilino)-3H-isoindol-1-one
CID 20866645
(3R)-3-[4-(4-benzylpiperazine-1-carbonyl)anilino]-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one
CID 98404370
ethyl 2-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]benzoate
CID 20866712
N-(2-fluorophenyl)-4-[[2-[(4-fluorophenyl)methyl]-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 42765834
2-benzyl-3-(4-morpholin-4-ylsulfonylanilino)-3H-isoindol-1-one
CID 20866638
N-benzyl-4-[[2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]benzamide
CID 3995947

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide (CID 46256528) is N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2c3ccccc3C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide?
The InChIKey is NVHZTPDCZVKYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16(27)24-18-11-13-19(14-12-18)25-22-20-9-5-6-10-21(20)23(28)26(22)15-17-7-3-2-4-8-17/h2-14,22,25H,15H2,1H3,(H,24,27).
What are the key properties of N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide?
N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-benzyl-3-oxo-1H-isoindol-1-yl)amino]phenyl]acetamide is sourced from PubChem (CID 46256528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).