1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea

C13H11Cl2N3O — CID 43551327

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

About 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea

1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea (PubChem CID 43551327) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
PubChem CID43551327
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
SMILESNc1ccc(Cl)c(NC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)17-13(19)18-12-7-8(16)5-6-10(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyFYGSVCNAFLQQNJ-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'}

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Related Compounds

1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(2-amino-4-bromophenyl)-3-(2-chlorophenyl)urea
CID 43544038
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
The IUPAC name of 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea (CID 43551327) is 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea is Nc1ccc(Cl)c(NC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
The InChIKey is FYGSVCNAFLQQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-3-1-2-4-11(9)17-13(19)18-12-7-8(16)5-6-10(12)15/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea?
1-(5-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-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea is sourced from PubChem (CID 43551327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).