1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea

C11H15ClN2O2 — CID 61355731

IUPAC1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
SMILESCC(CO)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-15)6-13-11(16)14-10-4-2-9(12)3-5-10/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)
InChIKeyZZKUUUCGLYQRHS-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.09
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea

1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea (PubChem CID 61355731) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
PubChem CID61355731
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
SMILESCC(CO)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O2/c1-8(7-15)6-13-11(16)14-10-4-2-9(12)3-5-10/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16)
InChIKeyZZKUUUCGLYQRHS-UHFFFAOYSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)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

4-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066307
1-(3-hydroxy-2-methylpropyl)-3-(4-nitrophenyl)urea
CID 61354891
1-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-(4-chlorophenyl)urea
CID 55102669
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
CID 158191515
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61354888
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 62669376
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
1-(3-chloro-4-fluorophenyl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452669
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea (CID 61355731) is 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea is CC(CO)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea?
The InChIKey is ZZKUUUCGLYQRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(7-15)6-13-11(16)14-10-4-2-9(12)3-5-10/h2-5,8,15H,6-7H2,1H3,(H2,13,14,16).
What are the key properties of 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea?
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea has a molecular weight of 242.71 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 61355731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).