(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C17H14F3NO — CID 875131

IUPAC(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO/c1-12-5-2-3-8-15(12)21-16(22)10-9-13-6-4-7-14(11-13)17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+
InChIKeyQHSKWCGAVGFCNQ-MDZDMXLPSA-N
MW305.30 g/mol
LogP4.67
Rot. Bonds3

About (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 875131) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID875131
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO/c1-12-5-2-3-8-15(12)21-16(22)10-9-13-6-4-7-14(11-13)17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+
InChIKeyQHSKWCGAVGFCNQ-MDZDMXLPSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.67
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-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55642515
(E)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 26774017
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 24635343
(E)-N-(2,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808993
(E)-N-(4-bromo-2-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 16552812
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 875131) is (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccccc1NC(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is QHSKWCGAVGFCNQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-12-5-2-3-8-15(12)21-16(22)10-9-13-6-4-7-14(11-13)17(18,19)20/h2-11H,1H3,(H,21,22)/b10-9+.
What are the key properties of (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 305.30 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 875131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).