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

C13H11ClFN3O — CID 16771122

IUPAC1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccccc2F)c(Cl)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-7-8(16)5-6-11(9)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyAYLWPSVDMLQDJX-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.71
Rot. Bonds2

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

1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea (PubChem CID 16771122) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
PubChem CID16771122
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2ccccc2F)c(Cl)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-7-8(16)5-6-11(9)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyAYLWPSVDMLQDJX-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.71
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
1-(4-amino-2-methoxyphenyl)-3-(2-fluorophenyl)urea
CID 16777814
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904303
1-(3-amino-4-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16772839
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 79128265

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea (CID 16771122) is 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea is Nc1ccc(NC(=O)Nc2ccccc2F)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea?
The InChIKey is AYLWPSVDMLQDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-7-8(16)5-6-11(9)17-13(19)18-12-4-2-1-3-10(12)15/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea?
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea has a molecular weight of 279.70 g/mol, XLogP of 3.71, 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-fluorophenyl)urea is sourced from PubChem (CID 16771122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).