1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea

C23H22ClN3O — CID 46389874

IUPAC1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1Cl
InChIInChI=1S/C23H22ClN3O/c1-16-7-9-21(12-22(16)24)26-23(28)25-20-10-8-18-14-27(15-19(18)11-20)13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H2,25,26,28)
InChIKeySVGOALPWNUNBRL-UHFFFAOYSA-N
MW391.90 g/mol
LogP5.81
Rot. Bonds4

About 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea

1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 46389874) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID46389874
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1Cl
InChIInChI=1S/C23H22ClN3O/c1-16-7-9-21(12-22(16)24)26-23(28)25-20-10-8-18-14-27(15-19(18)11-20)13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H2,25,26,28)
InChIKeySVGOALPWNUNBRL-UHFFFAOYSA-N
XLogP5.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea 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

1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2,5-dimethylphenyl)urea
CID 46389876
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-bromophenyl)urea
CID 46389889
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
CID 46981546
N-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 46980658
N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897194
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609
4-[(3-chloro-4-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651885
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea (CID 46389874) is 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1Cl.
What is the InChIKey of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is SVGOALPWNUNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c1-16-7-9-21(12-22(16)24)26-23(28)25-20-10-8-18-14-27(15-19(18)11-20)13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H2,25,26,28).
What are the key properties of 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea?
1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 391.90 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 46389874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).