N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid

HCID 218521

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 40754-98-1
Standard SMILES: CCCC(CCC)NC(=O)c1ccccc1C(F)(F)F
InChIKey: DWXLLQDCAFEANM-UHFFFAOYSA-N
Molecular formula: C15H20F3NO
Average molar mass: 287.32 g/mol
Monoisotopic mass: 287.14969875

Names & identifiers

Preferred name: N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acid
IUPAC: N-heptan-4-yl-2-(trifluoromethyl)benzamide

Names & synonyms

DTXSID3096117540754-98-1N-(Heptan-4-yl)-2-(trifluoromethyl)benzene-1-carboximidic acidRefChem:1091429DTXCID301389008N-(1-Propylbutyl)-2-(trifluoromethyl)benzamideBRN 2285112Benzamide, N-(1-propylbutyl)-2-(trifluoromethyl)-DWXLLQDCAFEANM-UHFFFAOYSA-N

Database identifiers

CAS: 40754-98-1
PubChem CID: 218521
DTXSID: DTXSID30961175

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 298

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…