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

C13H11ClFN3O — CID 16777079

IUPAC1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
SMILESNc1ccc(F)c(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClFN3O/c14-8-2-1-3-10(6-8)17-13(19)18-12-7-9(16)4-5-11(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyWOZFYPNPYIVQGY-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.71
Rot. Bonds2

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

1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea (PubChem CID 16777079) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
PubChem CID16777079
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
SMILESNc1ccc(F)c(NC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C13H11ClFN3O/c14-8-2-1-3-10(6-8)17-13(19)18-12-7-9(16)4-5-11(12)15/h1-7H,16H2,(H2,17,18,19)
InChIKeyWOZFYPNPYIVQGY-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-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
N-(5-amino-2-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 55083516
1-(3-aminophenyl)-3-(3-chloro-5-fluorophenyl)urea
CID 107367193
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 91682684
1-(5-chloro-2-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859781

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea (CID 16777079) is 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea is Nc1ccc(F)c(NC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea?
The InChIKey is WOZFYPNPYIVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-8-2-1-3-10(6-8)17-13(19)18-12-7-9(16)4-5-11(12)15/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea?
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)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-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 16777079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).