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

C15H9ClF3NO — CID 2521630

IUPAC(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9ClF3NO/c16-10-3-1-2-9(8-10)4-7-13(21)20-12-6-5-11(17)14(18)15(12)19/h1-8H,(H,20,21)/b7-4+
InChIKeyJUQFHFCHKLJYHE-QPJJXVBHSA-N
MW311.69 g/mol
LogP4.41
Rot. Bonds3

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

(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (PubChem CID 2521630) has the molecular formula C15H9ClF3NO and a molecular weight of 311.69 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
PubChem CID2521630
Molecular FormulaC15H9ClF3NO
Molecular Weight311.69 g/mol
Exact Mass311.03
IUPAC Name(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H9ClF3NO/c16-10-3-1-2-9(8-10)4-7-13(21)20-12-6-5-11(17)14(18)15(12)19/h1-8H,(H,20,21)/b7-4+
InChIKeyJUQFHFCHKLJYHE-QPJJXVBHSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.41
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'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
3-(3-chlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 75618948
(E)-3-(3-nitrophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 6289668
3-(4-fluorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4543242
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-hydroxybenzoic acid
CID 108766495
(E)-3-(3-chlorophenyl)-N-[4-[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6167581
(E)-N-(5-chloro-2-methylphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8502365
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
(E)-3-(3-chlorophenyl)-N-(2,4-dinitrophenyl)prop-2-enamide
CID 6060588
3-(3-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 896227
(E)-3-(2-bromophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 26358362

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide (CID 2521630) is (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
The InChIKey is JUQFHFCHKLJYHE-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H9ClF3NO/c16-10-3-1-2-9(8-10)4-7-13(21)20-12-6-5-11(17)14(18)15(12)19/h1-8H,(H,20,21)/b7-4+.
What are the key properties of (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide?
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide has a molecular weight of 311.69 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide is sourced from PubChem (CID 2521630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).