N,N-dimethyl-4-[2-(trifluoromethyl)benzoyl]-1H-pyrrole-2-carboxamide

N,N-dimethyl-4-[2-(trifluoromethyl)benzoyl]-1H-pyrrole-2-carboxamide

CAS: 477852-39-4

Formula: C15H13F3N2O2

SMILES: CN(C)C(=O)C1=CC(=CN1)C(=O)C1=C(C=CC=C1)C(F)(F)F

IUPAC: N,N-dimethyl-4-[2-(trifluoromethyl)benzoyl]-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C15H13F3N2O2/c1-20(2)14(22)12-7-9(8-19-12)13(21)10-5-3-4-6-11(10)15(16,17)18/h3-8,19H,1-2H3

Composition: C (58.07%), H (4.22%), F (18.37%), N (9.03%), O (10.31%)

Molar Mass: 310.276

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	310.092912156
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LCBGXZIGIQDOAB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.12
Topological Polar Surface Area	53.17
Polarizability	27.36
Ring Count	2
Rotatable Bond Count	4

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