1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea

C14H12Cl2N2O2 — CID 108888756

IUPAC1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
SMILESO=C(NCOc1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-11-7-4-8-12(13(11)16)18-14(19)17-9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyXYZIINJPUAWZSE-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.15
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea

1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea (PubChem CID 108888756) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
PubChem CID108888756
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea
SMILESO=C(NCOc1ccccc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-11-7-4-8-12(13(11)16)18-14(19)17-9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H2,17,18,19)
InChIKeyXYZIINJPUAWZSE-UHFFFAOYSA-N
XLogP4.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)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-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea
CID 108888848
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2,3-dimethylphenyl)-3-(phenoxymethyl)urea
CID 108888843
1-(2-methoxyphenyl)-3-(phenoxymethyl)urea
CID 108888745
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
1-(phenoxymethyl)-3-(2-phenylsulfanylphenyl)urea
CID 108888842
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
N-(2,3-dichlorophenyl)-2-phenoxypropanamide
CID 2897939
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
(E)-4-[(2,3-dichlorophenyl)carbamoylamino]but-2-enoic acid
CID 112746635

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea (CID 108888756) is 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea is O=C(NCOc1ccccc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea?
The InChIKey is XYZIINJPUAWZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-11-7-4-8-12(13(11)16)18-14(19)17-9-20-10-5-2-1-3-6-10/h1-8H,9H2,(H2,17,18,19).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea?
1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea has a molecular weight of 311.17 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(phenoxymethyl)urea is sourced from PubChem (CID 108888756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).