4-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(4-fluorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide

CAS: 478078-63-6

Formula: C17H13FN2O2S

SMILES: FC1=CC=C(C=C1)C(=O)C1=CNC(=C1)C(=O)NCC1=CC=CS1

IUPAC: 4-(4-fluorobenzoyl)-N-[(thiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C17H13FN2O2S/c18-13-5-3-11(4-6-13)16(21)12-8-15(19-9-12)17(22)20-10-14-2-1-7-23-14/h1-9,19H,10H2,(H,20,22)

Composition: C (62.18%), H (3.99%), F (5.79%), N (8.53%), O (9.74%), S (9.76%)

Molar Mass: 328.36

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	328.068177004
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	LNROBTDSBFEKKM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.96
Topological Polar Surface Area	61.96
Polarizability	32.31
Ring Count	3
Rotatable Bond Count	5

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478078-63-6		$51.35-$524.40$51.35$63.37$86.31$524.40