N-(2-Propylpentyl)-2-(trifluoromethyl)benzene-1-carboximidic acid

HCID 218554

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Basic information

CAS: 40784-83-6
Standard SMILES: CCCC(CCC)CNC(=O)c1ccccc1C(F)(F)F
InChIKey: LKFRLOSJHSLCJO-UHFFFAOYSA-N
Molecular formula: C16H22F3NO
Average molar mass: 301.35 g/mol
Monoisotopic mass: 301.16534881

Names & identifiers

Preferred name: N-(2-Propylpentyl)-2-(trifluoromethyl)benzene-1-carboximidic acid
IUPAC: N-(2-propylpentyl)-2-(trifluoromethyl)benzamide

Names & synonyms

DTXSID4096120240784-83-6N-(2-Propylpentyl)-2-(trifluoromethyl)benzene-1-carboximidic acidRefChem:1091091DTXCID301389034N-(2-Propylpentyl)-2-(trifluoromethyl)benzamideBRN 2288113Benzamide, N-(2-propylpentyl)-2-(trifluoromethyl)-

Database identifiers

CAS: 40784-83-6
PubChem CID: 218554
DTXSID: DTXSID40961202

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 311

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