(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide

C22H19F3N2O — CID 46426235

IUPAC(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN(C)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O/c1-27(2)17-11-12-20(19(14-17)22(23,24)25)26-21(28)13-10-16-8-5-7-15-6-3-4-9-18(15)16/h3-14H,1-2H3,(H,26,28)/b13-10+
InChIKeySLWNBIHFMWRTPF-JLHYYAGUSA-N
MW384.40 g/mol
LogP5.58
Rot. Bonds4

About (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 46426235) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID46426235
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN(C)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2O/c1-27(2)17-11-12-20(19(14-17)22(23,24)25)26-21(28)13-10-16-8-5-7-15-6-3-4-9-18(15)16/h3-14H,1-2H3,(H,26,28)/b13-10+
InChIKeySLWNBIHFMWRTPF-JLHYYAGUSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.58
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

(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 17371694
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 43068430
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 46426354
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46426355
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 55671893
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-N-(2-methoxy-5-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 24592972
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 46426415
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 46426235) is (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is CN(C)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)c(C(F)(F)F)c1.
What is the InChIKey of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is SLWNBIHFMWRTPF-JLHYYAGUSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-27(2)17-11-12-20(19(14-17)22(23,24)25)26-21(28)13-10-16-8-5-7-15-6-3-4-9-18(15)16/h3-14H,1-2H3,(H,26,28)/b13-10+.
What are the key properties of (E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 384.40 g/mol, XLogP of 5.58, 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-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 46426235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).