N-[3-(2-bromoacetamido)-2-methylphenyl]cyclopropanecarboxamide

N-[3-(2-bromoacetamido)-2-methylphenyl]cyclopropanecarboxamide

CAS: 1138443-78-3

Formula: C13H15BrN2O2

SMILES: CC1=C(NC(=O)C2CC2)C=CC=C1NC(=O)CBr

IUPAC: N-[3-(2-bromoacetamido)-2-methylphenyl]cyclopropanecarboxamide

InChI: InChI=1S/C13H15BrN2O2/c1-8-10(15-12(17)7-14)3-2-4-11(8)16-13(18)9-5-6-9/h2-4,9H,5-7H2,1H3,(H,15,17)(H,16,18)

Composition: C (50.18%), H (4.86%), Br (25.68%), N (9.00%), O (10.28%)

Molar Mass: 311.179

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	310.031691
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	DTIMSJLDYQIMRW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.96
Topological Polar Surface Area	58.2
Polarizability	27.57
Ring Count	2
Rotatable Bond Count	4

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