(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C16H10BrF4NO — CID 16552812

IUPAC(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H10BrF4NO/c17-12-5-6-14(13(18)9-12)22-15(23)7-4-10-2-1-3-11(8-10)16(19,20)21/h1-9H,(H,22,23)/b7-4+
InChIKeySJDODXPPPASSPL-QPJJXVBHSA-N
MW388.16 g/mol
LogP5.26
Rot. Bonds3

About (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 16552812) has the molecular formula C16H10BrF4NO and a molecular weight of 388.16 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID16552812
Molecular FormulaC16H10BrF4NO
Molecular Weight388.16 g/mol
Exact Mass386.99
IUPAC Name(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1F
InChIInChI=1S/C16H10BrF4NO/c17-12-5-6-14(13(18)9-12)22-15(23)7-4-10-2-1-3-11(8-10)16(19,20)21/h1-9H,(H,22,23)/b7-4+
InChIKeySJDODXPPPASSPL-QPJJXVBHSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.16
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808993
N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
4-chloro-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54192223
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55642515
(E)-N-(4-methanimidoylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 142003587

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 16552812) is (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1F.
What is the InChIKey of (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is SJDODXPPPASSPL-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H10BrF4NO/c17-12-5-6-14(13(18)9-12)22-15(23)7-4-10-2-1-3-11(8-10)16(19,20)21/h1-9H,(H,22,23)/b7-4+.
What are the key properties of (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 388.16 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 16552812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).