N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide

N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide

CAS: 478259-79-9

Formula: C18H22N2O2

SMILES: CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC1=CC=CC=C1

IUPAC: N-benzyl-4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C18H22N2O2/c1-3-14(4-2)17(21)15-10-16(19-12-15)18(22)20-11-13-8-6-5-7-9-13/h5-10,12,14,19H,3-4,11H2,1-2H3,(H,20,22)

Composition: C (72.46%), H (7.43%), N (9.39%), O (10.72%)

Molar Mass: 298.386

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	298.168127956
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HLIYIGOVMSSKBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.09
Topological Polar Surface Area	61.96
Polarizability	33.41
Ring Count	2
Rotatable Bond Count	7

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