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

C15H15ClFN3O — CID 108900021

IUPAC1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESNc1ccc(NC(=O)NCCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O/c16-12-9-11(18)5-6-14(12)20-15(21)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8,18H2,(H2,19,20,21)
InChIKeyCPYJXLHJIYDRJA-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.43
Rot. Bonds4

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

1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea (PubChem CID 108900021) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
PubChem CID108900021
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
SMILESNc1ccc(NC(=O)NCCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O/c16-12-9-11(18)5-6-14(12)20-15(21)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8,18H2,(H2,19,20,21)
InChIKeyCPYJXLHJIYDRJA-UHFFFAOYSA-N
XLogP3.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.43
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

2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
1-(4-amino-2-chlorophenyl)-3-(2-fluorophenyl)urea
CID 16771122
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-(5-chloro-2-methylsulfanylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 60588730
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
CID 108900107
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(5-chloro-2-pyridinyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900168
1-(4-amino-2-chlorophenyl)-3-(phenoxymethyl)urea
CID 108888848

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea (CID 108900021) is 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea is Nc1ccc(NC(=O)NCCc2ccccc2F)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
The InChIKey is CPYJXLHJIYDRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c16-12-9-11(18)5-6-14(12)20-15(21)19-8-7-10-3-1-2-4-13(10)17/h1-6,9H,7-8,18H2,(H2,19,20,21).
What are the key properties of 1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea?
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea has a molecular weight of 307.76 g/mol, XLogP of 3.43, 4 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-(2-fluorophenyl)ethyl]urea is sourced from PubChem (CID 108900021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).