1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea

C13H11Cl2N3O — CID 43544026

IUPAC1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)17-13(19)18-12-6-5-8(16)7-10(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyNRIJYGSSSRIEHF-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.22
Rot. Bonds2

About 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea

1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea (PubChem CID 43544026) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
PubChem CID43544026
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)17-13(19)18-12-6-5-8(16)7-10(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyNRIJYGSSSRIEHF-UHFFFAOYSA-N
XLogP4.22
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-2-chlorophenyl)-3-(2-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-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
1-(4-amino-2-chlorophenyl)-3-tert-butylurea
CID 28785677
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(4-amino-2-chlorophenyl)-3-(4-chloro-3-methylphenyl)urea
CID 153024468
1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea
CID 108888848
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
1-(4-amino-2-chlorophenyl)-3-(cyanomethyl)urea
CID 108864717

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea (CID 43544026) is 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea is Nc1ccc(NC(=O)Nc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
The InChIKey is NRIJYGSSSRIEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)17-13(19)18-12-6-5-8(16)7-10(12)15/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea has a molecular weight of 296.16 g/mol, XLogP of 4.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 43544026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).