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

C20H13ClF3NO — CID 17371694

IUPAC(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C20H13ClF3NO/c21-15-9-10-18(17(12-15)20(22,23)24)25-19(26)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H,(H,25,26)/b11-8+
InChIKeyLVOJWTSPQNBBEH-DHZHZOJOSA-N
MW375.78 g/mol
LogP6.16
Rot. Bonds3

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

(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 17371694) has the molecular formula C20H13ClF3NO and a molecular weight of 375.78 g/mol. Its IUPAC name is (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID17371694
Molecular FormulaC20H13ClF3NO
Molecular Weight375.78 g/mol
Exact Mass375.06
IUPAC Name(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C20H13ClF3NO/c21-15-9-10-18(17(12-15)20(22,23)24)25-19(26)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H,(H,25,26)/b11-8+
InChIKeyLVOJWTSPQNBBEH-DHZHZOJOSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.78
LogP ≤ 56.16
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-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 46426235
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 3744074
4-chloro-2-[3-[2-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54441739
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
(E)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 98674038
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(E)-N-(2-methylsulfonylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 55534896
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide (CID 17371694) is (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is O=C(/C=C/c1cccc2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is LVOJWTSPQNBBEH-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H13ClF3NO/c21-15-9-10-18(17(12-15)20(22,23)24)25-19(26)11-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-12H,(H,25,26)/b11-8+.
What are the key properties of (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 375.78 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 17371694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).