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

C20H18F3NO — CID 173202863

IUPAC(E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1-c1c(/C=C/C(=O)NC2CC2)cccc1C(F)(F)F
InChIInChI=1S/C20H18F3NO/c1-13-5-2-3-7-16(13)19-14(6-4-8-17(19)20(21,22)23)9-12-18(25)24-15-10-11-15/h2-9,12,15H,10-11H2,1H3,(H,24,25)/b12-9+
InChIKeyJGBCJGPXACZCGJ-FMIVXFBMSA-N
MW345.36 g/mol
LogP4.97
Rot. Bonds4

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

(E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 173202863) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID173202863
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name(E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCc1ccccc1-c1c(/C=C/C(=O)NC2CC2)cccc1C(F)(F)F
InChIInChI=1S/C20H18F3NO/c1-13-5-2-3-7-16(13)19-14(6-4-8-17(19)20(21,22)23)9-12-18(25)24-15-10-11-15/h2-9,12,15H,10-11H2,1H3,(H,24,25)/b12-9+
InChIKeyJGBCJGPXACZCGJ-FMIVXFBMSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.97
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-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 44525811
(E)-N-(4-hydroxycyclohexyl)-3-(2-methylphenyl)prop-2-enamide
CID 43389166
3-[3-(2-methylphenyl)prop-2-enoylamino]cyclopentane-1-carboxylic acid
CID 77109183
3-[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 75177372
(E)-3-(2-chlorophenyl)-N-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 6265521
methyl (E)-3-[2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-3-(trifluoromethyl)phenyl]prop-2-enoate
CID 135027064
(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide
CID 67893783
(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108933036
3-(2-bromophenyl)-N-cyclopentylprop-2-enamide
CID 78906926
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 60809194
3-(2-chlorophenyl)-N-cyclooctylprop-2-enamide
CID 966037

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide (CID 173202863) is (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide is Cc1ccccc1-c1c(/C=C/C(=O)NC2CC2)cccc1C(F)(F)F.
What is the InChIKey of (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is JGBCJGPXACZCGJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-13-5-2-3-7-16(13)19-14(6-4-8-17(19)20(21,22)23)9-12-18(25)24-15-10-11-15/h2-9,12,15H,10-11H2,1H3,(H,24,25)/b12-9+.
What are the key properties of (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 345.36 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[2-(2-methylphenyl)-3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 173202863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).