(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

C15H9BrF3NO — CID 26358362

IUPAC(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9BrF3NO/c16-10-4-2-1-3-9(10)5-8-13(21)20-12-7-6-11(17)14(18)15(12)19/h1-8H,(H,20,21)/b8-5+
InChIKeyAJTOXYPPWSXKEF-VMPITWQZSA-N
MW356.14 g/mol
LogP4.52
Rot. Bonds3

About (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide

(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (PubChem CID 26358362) has the molecular formula C15H9BrF3NO and a molecular weight of 356.14 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
PubChem CID26358362
Molecular FormulaC15H9BrF3NO
Molecular Weight356.14 g/mol
Exact Mass354.98
IUPAC Name(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9BrF3NO/c16-10-4-2-1-3-9(10)5-8-13(21)20-12-7-6-11(17)14(18)15(12)19/h1-8H,(H,20,21)/b8-5+
InChIKeyAJTOXYPPWSXKEF-VMPITWQZSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-5-chlorobenzamide
CID 53329238
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
2-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-4-chlorobenzoic acid
CID 23292169
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
3-(2-bromophenyl)-N-[2-(difluoromethylsulfonyl)phenyl]prop-2-enamide
CID 76858905
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (CID 26358362) is (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Br)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The InChIKey is AJTOXYPPWSXKEF-VMPITWQZSA-N. The full InChI is InChI=1S/C15H9BrF3NO/c16-10-4-2-1-3-9(10)5-8-13(21)20-12-7-6-11(17)14(18)15(12)19/h1-8H,(H,20,21)/b8-5+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide has a molecular weight of 356.14 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 26358362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).