3-(2-bromoacetamido)-N-(oxolan-2-ylmethyl)benzamide

3-(2-bromoacetamido)-N-(oxolan-2-ylmethyl)benzamide

CAS: 1138442-86-0

Formula: C14H17BrN2O3

SMILES: BrCC(=O)NC1=CC=CC(=C1)C(=O)NCC1CCCO1

IUPAC: 3-(2-bromoacetamido)-N-[(oxolan-2-yl)methyl]benzamide

InChI: InChI=1/C14H17BrN2O3/c15-8-13(18)17-11-4-1-3-10(7-11)14(19)16-9-12-5-2-6-20-12/h1,3-4,7,12H,2,5-6,8-9H2,(H,16,19)(H,17,18)

Composition: C (49.28%), H (5.02%), Br (23.42%), N (8.21%), O (14.07%)

Molar Mass: 341.205

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	340.042255
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WVTUWBFXDJJNDY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.89
Topological Polar Surface Area	67.43
Polarizability	30.03
Ring Count	2
Rotatable Bond Count	5

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