(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide

C21H15ClF3NO — CID 18809087

IUPAC(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H15ClF3NO/c1-26(19-8-4-6-14-5-2-3-7-17(14)19)20(27)12-9-15-13-16(21(23,24)25)10-11-18(15)22/h2-13H,1H3/b12-9+
InChIKeyFVHTYUMTILIEJS-FMIVXFBMSA-N
MW389.80 g/mol
LogP6.19
Rot. Bonds3

About (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide

(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide (PubChem CID 18809087) has the molecular formula C21H15ClF3NO and a molecular weight of 389.80 g/mol. Its IUPAC name is (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide
PubChem CID18809087
Molecular FormulaC21H15ClF3NO
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cccc2ccccc12
InChIInChI=1S/C21H15ClF3NO/c1-26(19-8-4-6-14-5-2-3-7-17(14)19)20(27)12-9-15-13-16(21(23,24)25)10-11-18(15)22/h2-13H,1H3/b12-9+
InChIKeyFVHTYUMTILIEJS-FMIVXFBMSA-N
XLogP6.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.80
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide (CID 18809087) is (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide is CN(C(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl)c1cccc2ccccc12.
What is the InChIKey of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is FVHTYUMTILIEJS-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H15ClF3NO/c1-26(19-8-4-6-14-5-2-3-7-17(14)19)20(27)12-9-15-13-16(21(23,24)25)10-11-18(15)22/h2-13H,1H3/b12-9+.
What are the key properties of (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide?
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide has a molecular weight of 389.80 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-methyl-N-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 18809087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).