(E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

C18H14Cl2F3NO — CID 2541559

IUPAC(E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14Cl2F3NO/c19-15-7-3-13(16(20)11-15)4-8-17(25)24-10-9-12-1-5-14(6-2-12)18(21,22)23/h1-8,11H,9-10H2,(H,24,25)/b8-4+
InChIKeyQHIYVSKLNKQPMP-XBXARRHUSA-N
MW388.22 g/mol
LogP5.38
Rot. Bonds5

About (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (PubChem CID 2541559) has the molecular formula C18H14Cl2F3NO and a molecular weight of 388.22 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
PubChem CID2541559
Molecular FormulaC18H14Cl2F3NO
Molecular Weight388.22 g/mol
Exact Mass387.04
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14Cl2F3NO/c19-15-7-3-13(16(20)11-15)4-8-17(25)24-10-9-12-1-5-14(6-2-12)18(21,22)23/h1-8,11H,9-10H2,(H,24,25)/b8-4+
InChIKeyQHIYVSKLNKQPMP-XBXARRHUSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.22
LogP ≤ 55.38
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

N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 5056399
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
3-(2,4-dichlorophenyl)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]prop-2-enamide
CID 2900278
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 887747
(E)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 51604937
(E)-N-(4-aminobutyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 82335727
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
(E)-3-(2,4-dichlorophenyl)-N-(5-hydroxypentyl)prop-2-enamide
CID 107318451
(E)-3-(2,4-dichlorophenyl)-N-(3-hydroxypentyl)prop-2-enamide
CID 115703845
(E)-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 17104886
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]acetic acid
CID 3322960

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide (CID 2541559) is (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
The InChIKey is QHIYVSKLNKQPMP-XBXARRHUSA-N. The full InChI is InChI=1S/C18H14Cl2F3NO/c19-15-7-3-13(16(20)11-15)4-8-17(25)24-10-9-12-1-5-14(6-2-12)18(21,22)23/h1-8,11H,9-10H2,(H,24,25)/b8-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide has a molecular weight of 388.22 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 2541559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).