1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea

C17H19ClN2O2 — CID 111521290

IUPAC1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
SMILESCc1cccc(NC(=O)N(CCO)Cc2ccccc2)c1Cl
InChIInChI=1S/C17H19ClN2O2/c1-13-6-5-9-15(16(13)18)19-17(22)20(10-11-21)12-14-7-3-2-4-8-14/h2-9,21H,10-12H2,1H3,(H,19,22)
InChIKeyQMYPFNQFNXOKGU-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.67
Rot. Bonds5

About 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea

1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea (PubChem CID 111521290) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
PubChem CID111521290
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
SMILESCc1cccc(NC(=O)N(CCO)Cc2ccccc2)c1Cl
InChIInChI=1S/C17H19ClN2O2/c1-13-6-5-9-15(16(13)18)19-17(22)20(10-11-21)12-14-7-3-2-4-8-14/h2-9,21H,10-12H2,1H3,(H,19,22)
InChIKeyQMYPFNQFNXOKGU-UHFFFAOYSA-N
XLogP3.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)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-benzyl-1-(2-hydroxyethyl)-3-(2-propylphenyl)urea
CID 110896766
1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
CID 111117127
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
3-(2-chlorophenyl)-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111022328
N-benzyl-2-(2,6-dimethylanilino)-N-(2-hydroxyethyl)acetamide
CID 111565385
1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
1-benzyl-3-(2-chloro-6-methylphenyl)-1-(2-piperidin-1-ylethyl)urea
CID 3060889

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea (CID 111521290) is 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea is Cc1cccc(NC(=O)N(CCO)Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea?
The InChIKey is QMYPFNQFNXOKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13-6-5-9-15(16(13)18)19-17(22)20(10-11-21)12-14-7-3-2-4-8-14/h2-9,21H,10-12H2,1H3,(H,19,22).
What are the key properties of 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea?
1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea has a molecular weight of 318.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111521290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).