1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea

C14H12Cl2N2O2 — CID 156854371

IUPAC1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1CO
InChIInChI=1S/C14H12Cl2N2O2/c15-10-2-1-3-12(6-10)17-14(20)18-13-7-11(16)5-4-9(13)8-19/h1-7,19H,8H2,(H2,17,18,20)
InChIKeyRHAROVIOHOCEJG-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.13
Rot. Bonds3

About 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea

1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 156854371) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID156854371
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1CO
InChIInChI=1S/C14H12Cl2N2O2/c15-10-2-1-3-12(6-10)17-14(20)18-13-7-11(16)5-4-9(13)8-19/h1-7,19H,8H2,(H2,17,18,20)
InChIKeyRHAROVIOHOCEJG-UHFFFAOYSA-N
XLogP4.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)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-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 166747604
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-[3-bromo-4-[ethyl(hydroxy)amino]phenyl]-3-[5-chloro-2-(hydroxymethyl)phenyl]urea
CID 166747530
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-[3-(2-hydroxyethylamino)-5-methoxyphenyl]urea
CID 156854692

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea (CID 156854371) is 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1cc(Cl)ccc1CO.
What is the InChIKey of 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is RHAROVIOHOCEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-10-2-1-3-12(6-10)17-14(20)18-13-7-11(16)5-4-9(13)8-19/h1-7,19H,8H2,(H2,17,18,20).
What are the key properties of 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea?
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 311.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 156854371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).