2-bromo-N,N-dibutylbenzamide

2-bromo-N,N-dibutylbenzamide

CAS: 349092-70-2

Formula: C15H22BrNO

SMILES: CCCCN(CCCC)C(=O)C1=CC=CC=C1Br

IUPAC: 2-bromo-N,N-dibutylbenzamide

InChI: InChI=1S/C15H22BrNO/c1-3-5-11-17(12-6-4-2)15(18)13-9-7-8-10-14(13)16/h7-10H,3-6,11-12H2,1-2H3

Composition: C (57.70%), H (7.10%), Br (25.59%), N (4.49%), O (5.12%)

Molar Mass: 312.251

Atom Count: 40

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	311.088477
Formal Charge	0
FSP3	0.53
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MSUBAUQKUIUIOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.3
Topological Polar Surface Area	20.31
Polarizability	30.6
Ring Count	1
Rotatable Bond Count	7

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