4-(2,4-dichlorobenzoyl)-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide

4-(2,4-dichlorobenzoyl)-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide

CAS: 338977-12-1

Formula: C15H10Cl2N2O2

SMILES: ClC1=CC(Cl)=C(C=C1)C(=O)C1=CNC(=C1)C(=O)NCC#C

IUPAC: 4-(2,4-dichlorobenzoyl)-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide

InChI: InChI=1S/C15H10Cl2N2O2/c1-2-5-18-15(21)13-6-9(8-19-13)14(20)11-4-3-10(16)7-12(11)17/h1,3-4,6-8,19H,5H2,(H,18,21)

Composition: C (56.10%), H (3.14%), Cl (22.08%), N (8.72%), O (9.96%)

Molar Mass: 321.16

Atom Count: 31

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.011933
Formal Charge	0
FSP3	0.07
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZIMFUTNNMSDCJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.43
Topological Polar Surface Area	61.96
Polarizability	30.77
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	338977-12-1		$51.35-$86.31$51.35$63.37$86.31