tert-butyl N-{2-[(2-bromophenyl)formamido]ethyl}carbamate

tert-butyl N-{2-[(2-bromophenyl)formamido]ethyl}carbamate

CAS: 561030-83-9

Formula: C14H19BrN2O3

SMILES: CC(C)(C)OC(=O)NCCNC(=O)C1=CC=CC=C1Br

IUPAC: tert-butyl N-{2-[(2-bromophenyl)formamido]ethyl}carbamate

InChI: InChI=1S/C14H19BrN2O3/c1-14(2,3)20-13(19)17-9-8-16-12(18)10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,18)(H,17,19)

Composition: C (48.99%), H (5.58%), Br (23.28%), N (8.16%), O (13.98%)

Molar Mass: 343.221

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	342.057905
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	DRGXNAPNONOXPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.48
Topological Polar Surface Area	67.43
Polarizability	30.82
Ring Count	1
Rotatable Bond Count	6

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