N-(4-methyl-3-nitrophenyl)-4-morpholino-3-(trifluoromethyl)benzamide (HCID 71269428)

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Basic information

Standard SMILES: Cc1ccc(NC(=O)c2ccc(N3CCOCC3)c(C(F)(F)F)c2)cc1[N+](=O)[O-]
InChIKey: XWHZNHIXPDFZGD-UHFFFAOYSA-N
Molecular formula: C19H18F3N3O4
Average molar mass: 409.4 g/mol

Names & identifiers

Preferred name: N-(4-methyl-3-nitrophenyl)-4-morpholino-3-(trifluoromethyl)benzamide
IUPAC: N-(4-methyl-3-nitrophenyl)-4-morpholin-4-yl-3-(trifluoromethyl)benzamide

Names & synonyms

N-(4-methyl-3-nitrophenyl)-4-morpholino-3-(trifluoromethyl)benzamideSCHEMBL14717559N-(4-methyl-3-nitrophenyl)-4-morpholino-3-(trifluoromethyl)benzoamide

Database identifiers

PubChem CID: 71269428

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 87.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 29
Formal charge: 0
Complexity: 592

Related reactions

2 records

New reaction record

HRID 1465024As productuspto-grants-2015_04

HRID 1465025As reactantuspto-grants-2015_04

Compound notes

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