1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea

C15H14BrFN2O — CID 81290117

IUPAC1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-2-10-8-11(16)6-7-14(10)19-15(20)18-13-5-3-4-12(17)9-13/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyLFTKTHUUURMLGN-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea

1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea (PubChem CID 81290117) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
PubChem CID81290117
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O/c1-2-10-8-11(16)6-7-14(10)19-15(20)18-13-5-3-4-12(17)9-13/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyLFTKTHUUURMLGN-UHFFFAOYSA-N
XLogP4.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 81288618
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(4-bromo-2-ethylphenyl)-3-(4-cyanophenyl)urea
CID 81288018
1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
CID 3468982
1-[4-(diethylamino)-2-methylphenyl]-3-(3-fluorophenyl)urea
CID 108894002
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
methyl 5-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzoate
CID 134104777
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(3-aminophenyl)-3-(4-bromo-2-fluorophenyl)urea
CID 29283371

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea (CID 81290117) is 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea is CCc1cc(Br)ccc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea?
The InChIKey is LFTKTHUUURMLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-2-10-8-11(16)6-7-14(10)19-15(20)18-13-5-3-4-12(17)9-13/h3-9H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea?
1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea has a molecular weight of 337.19 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 81290117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).