1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea

C17H19ClN2O2 — CID 111454036

IUPAC1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-12-6-2-3-7-13(12)10-19-17(22)20-11-16(21)14-8-4-5-9-15(14)18/h2-9,16,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyIRKQVFOAHILTML-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea

1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 111454036) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID111454036
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)NCC(O)c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c1-12-6-2-3-7-13(12)10-19-17(22)20-11-16(21)14-8-4-5-9-15(14)18/h2-9,16,21H,10-11H2,1H3,(H2,19,20,22)
InChIKeyIRKQVFOAHILTML-UHFFFAOYSA-N
XLogP3.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]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

2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]propanoic acid
CID 66167152
1-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 96530805
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
1-(2-chlorophenyl)-2-[2-(2-methylphenyl)ethylamino]ethanol
CID 79749123
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(4-cyanophenyl)methyl]urea
CID 111450482
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 97212812
(1R)-1-(2-chlorophenyl)-2-[1-(2-methylphenyl)propan-2-ylamino]ethanol
CID 70004278
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
CID 111452985
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 111422863

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea (CID 111454036) is 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)NCC(O)c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is IRKQVFOAHILTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-6-2-3-7-13(12)10-19-17(22)20-11-16(21)14-8-4-5-9-15(14)18/h2-9,16,21H,10-11H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea?
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 318.80 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 111454036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).