1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea

C16H12BrF3N2O — CID 108905244

IUPAC1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(N/C=C/c1ccccc1Br)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3N2O/c17-14-4-2-1-3-11(14)9-10-21-15(23)22-13-7-5-12(6-8-13)16(18,19)20/h1-10H,(H2,21,22,23)/b10-9+
InChIKeyXRXGXSCXJFHSMO-MDZDMXLPSA-N
MW385.18 g/mol
LogP5.26
Rot. Bonds3

About 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 108905244) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID108905244
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(N/C=C/c1ccccc1Br)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12BrF3N2O/c17-14-4-2-1-3-11(14)9-10-21-15(23)22-13-7-5-12(6-8-13)16(18,19)20/h1-10H,(H2,21,22,23)/b10-9+
InChIKeyXRXGXSCXJFHSMO-MDZDMXLPSA-N
XLogP5.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.18
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905078
1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
CID 108909328
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(1H-indazol-6-yl)urea
CID 108905169
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108905003
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71496036
(E)-3-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684287
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108905287
1-bromo-2-[(1Z,5Z)-6-[4-(trifluoromethyl)phenyl]hexa-1,5-dien-3-ynyl]benzene
CID 11394778
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 108905244) is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(N/C=C/c1ccccc1Br)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is XRXGXSCXJFHSMO-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c17-14-4-2-1-3-11(14)9-10-21-15(23)22-13-7-5-12(6-8-13)16(18,19)20/h1-10H,(H2,21,22,23)/b10-9+.
What are the key properties of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 385.18 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108905244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).