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

C15H14ClFN2O — CID 895143

IUPAC1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClFN2O/c16-13-3-1-2-4-14(13)19-15(20)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyRKZIMRBKFFTART-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.84
Rot. Bonds4

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

1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea (PubChem CID 895143) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea
PubChem CID895143
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea
SMILESO=C(NCCc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClFN2O/c16-13-3-1-2-4-14(13)19-15(20)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H2,18,19,20)
InChIKeyRKZIMRBKFFTART-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Pencycuron
CID 91692
1-(3-Chloro-4-methylphenyl)-3-methylurea
CID 30967
1,3-Bis(2-chlorophenyl)urea
CID 236222
1-[(4-Chlorophenyl)methyl]-3-phenylurea
CID 4150009
1-(4-Fluorobenzyl)-3-phenylurea
CID 896691
N-(4-chlorophenethyl)-N'-(4-chlorophenyl)urea
CID 2805176
1-Benzyl-3-(2,5-dichlorophenyl)urea
CID 234245
1-(2-Chlorophenyl)-3-(P-tolyl)urea
CID 295010
1-(4-Chlorophenyl)-3-(P-tolyl)urea
CID 730414
1-Benzyl-3-(4-chlorophenyl)urea
CID 730667
N-(3-Chlorophenyl)-N'-(4-methylphenyl)urea
CID 3819896
1-{3-[(3,5-Dichlorobenzyl)amino]propyl}-3-Phenylurea
CID 57339424

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea (CID 895143) is 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea is O=C(NCCc1ccc(F)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
The InChIKey is RKZIMRBKFFTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-13-3-1-2-4-14(13)19-15(20)18-10-9-11-5-7-12(17)8-6-11/h1-8H,9-10H2,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea?
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea has a molecular weight of 292.74 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 895143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).