1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea

C15H13ClFN3O — CID 108904303

IUPAC1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESNc1ccc(NC(=O)N/C=C/c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H13ClFN3O/c16-12-9-11(18)5-6-14(12)20-15(21)19-8-7-10-3-1-2-4-13(10)17/h1-9H,18H2,(H2,19,20,21)/b8-7+
InChIKeyYFNUNVDVINPTJC-BQYQJAHWSA-N
MW305.74 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea

1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (PubChem CID 108904303) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
PubChem CID108904303
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
SMILESNc1ccc(NC(=O)N/C=C/c2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H13ClFN3O/c16-12-9-11(18)5-6-14(12)20-15(21)19-8-7-10-3-1-2-4-13(10)17/h1-9H,18H2,(H2,19,20,21)/b8-7+
InChIKeyYFNUNVDVINPTJC-BQYQJAHWSA-N
XLogP3.85
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.85
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-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904433
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904481
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903849
1-(2,3-dimethylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904298
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108904396
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea (CID 108904303) is 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea is Nc1ccc(NC(=O)N/C=C/c2ccccc2F)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
The InChIKey is YFNUNVDVINPTJC-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c16-12-9-11(18)5-6-14(12)20-15(21)19-8-7-10-3-1-2-4-13(10)17/h1-9H,18H2,(H2,19,20,21)/b8-7+.
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea?
1-(4-amino-2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea has a molecular weight of 305.74 g/mol, XLogP of 3.85, 3 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-[(E)-2-(2-fluorophenyl)ethenyl]urea is sourced from PubChem (CID 108904303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).