(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide

C18H16F4N2O — CID 46426355

IUPAC(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(C)c1ccc(NC(=O)/C=C/c2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N2O/c1-24(2)14-7-8-16(15(11-14)18(20,21)22)23-17(25)9-6-12-4-3-5-13(19)10-12/h3-11H,1-2H3,(H,23,25)/b9-6+
InChIKeyNOSOLHGORRPHSK-RMKNXTFCSA-N
MW352.33 g/mol
LogP4.56
Rot. Bonds4

About (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide

(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 46426355) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID46426355
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(C)c1ccc(NC(=O)/C=C/c2cccc(F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F4N2O/c1-24(2)14-7-8-16(15(11-14)18(20,21)22)23-17(25)9-6-12-4-3-5-13(19)10-12/h3-11H,1-2H3,(H,23,25)/b9-6+
InChIKeyNOSOLHGORRPHSK-RMKNXTFCSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55671893
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 46426235
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 46426354
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9033840
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 43068430
methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
(E)-3-(3-fluorophenyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]prop-2-enamide
CID 16623249
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9303701
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(3-fluorophenyl)prop-2-enamide
CID 104857440
(E)-3-(3-fluorophenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 84554139

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide (CID 46426355) is (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide is CN(C)c1ccc(NC(=O)/C=C/c2cccc(F)c2)c(C(F)(F)F)c1.
What is the InChIKey of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is NOSOLHGORRPHSK-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H16F4N2O/c1-24(2)14-7-8-16(15(11-14)18(20,21)22)23-17(25)9-6-12-4-3-5-13(19)10-12/h3-11H,1-2H3,(H,23,25)/b9-6+.
What are the key properties of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 352.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 46426355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).