1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea

C16H17ClN2O — CID 102087600

IUPAC1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
SMILESCN(Cc1ccccc1)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-18(12-13-6-4-3-5-7-13)16(20)19(2)15-10-8-14(17)9-11-15/h3-11H,12H2,1-2H3
InChIKeyKIPVEEHWACBXQZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.03
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea

1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea (PubChem CID 102087600) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
PubChem CID102087600
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
SMILESCN(Cc1ccccc1)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-18(12-13-6-4-3-5-7-13)16(20)19(2)15-10-8-14(17)9-11-15/h3-11H,12H2,1-2H3
InChIKeyKIPVEEHWACBXQZ-UHFFFAOYSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea 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-[(4-chlorophenyl)methyl]-1,3-dimethyl-3-phenylurea
CID 580681
[(4-chlorophenyl)-methylcarbamoyl]-methylcarbamic acid
CID 70531059
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
N-benzyl-N-(4-chlorophenyl)carbamate
CID 57352330
2-[(4-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399775
N-[(4-chlorophenyl)methyl]-N-methyl-3,3-diphenylpropanamide
CID 43909696
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179
1-[(Z)-1-(4-chlorophenyl)prop-1-enyl]-1,3-dimethyl-3-phenylurea
CID 102415940
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea (CID 102087600) is 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea is CN(Cc1ccccc1)C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea?
The InChIKey is KIPVEEHWACBXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-18(12-13-6-4-3-5-7-13)16(20)19(2)15-10-8-14(17)9-11-15/h3-11H,12H2,1-2H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea?
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea has a molecular weight of 288.78 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea is sourced from PubChem (CID 102087600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).