N-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)benzoyl]-1H-pyrrole-2-carboxamide

N-(pyridin-3-ylmethyl)-4-[3-(trifluoromethyl)benzoyl]-1H-pyrrole-2-carboxamide

CAS: 439111-47-4

Formula: C19H14F3N3O2

SMILES: FC(F)(F)C1=CC(=CC=C1)C(=O)C1=CNC(=C1)C(=O)NCC1=CN=CC=C1

IUPAC: N-[(pyridin-3-yl)methyl]-4-[3-(trifluoromethyl)benzoyl]-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C19H14F3N3O2/c20-19(21,22)15-5-1-4-13(7-15)17(26)14-8-16(24-11-14)18(27)25-10-12-3-2-6-23-9-12/h1-9,11,24H,10H2,(H,25,27)

Composition: C (61.13%), H (3.78%), F (15.27%), N (11.26%), O (8.57%)

Molar Mass: 373.335

Atom Count: 41

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	373.103811192
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JMOYMLZWGBOBEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.67
Topological Polar Surface Area	74.85
Polarizability	34.14
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	439111-47-4		$51.35-$524.40$51.35$63.37$86.31$524.40