1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea

C14H10BrF3N2O — CID 3573456

IUPAC1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10BrF3N2O/c15-10-4-6-11(7-5-10)19-13(21)20-12-3-1-2-9(8-12)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyUGHQRHZRMDPJSI-UHFFFAOYSA-N
MW359.15 g/mol
LogP5.11
Rot. Bonds2

About 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 3573456) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID3573456
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC Name1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10BrF3N2O/c15-10-4-6-11(7-5-10)19-13(21)20-12-3-1-2-9(8-12)14(16,17)18/h1-8H,(H2,19,20,21)
InChIKeyUGHQRHZRMDPJSI-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.15
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-Trifluoromethylphenyl)urea
CID 25712
1-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
1-(2-Bromophenyl)-3-phenylurea
CID 765466
1,3-Bis(3,5-bis(trifluoromethyl)phenyl)urea
CID 478241
N-(3-bromophenyl)-N'-(4-fluorophenyl)urea
CID 781156
N,N'-Di-(m-trifluoromethylphenyl)urea
CID 136250
1-(4-Bromophenyl)-3-phenylurea
CID 598833
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
N-(4''-bromo-3,3''-difluoro-4-biphenylyl)urea
CID 11595053
1-(4-Bromophenyl)-3-(2-(3-(prop-1-en-2-yl)phenyl)propan-2-yl)urea
CID 19168356
N-(4-bromo-2-fluorophenyl)-N'-phenylurea
CID 897521
1,3-Bis(3-methylphenyl)urea
CID 136428

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 3573456) is 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(Br)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is UGHQRHZRMDPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c15-10-4-6-11(7-5-10)19-13(21)20-12-3-1-2-9(8-12)14(16,17)18/h1-8H,(H2,19,20,21).
What are the key properties of 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 359.15 g/mol, XLogP of 5.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 3573456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).