1-(4-bromophenyl)-3-[(4-ethylphenyl)amino]propan-1-one

1-(4-bromophenyl)-3-[(4-ethylphenyl)amino]propan-1-one

CAS: 423735-02-8

Formula: C17H18BrNO

SMILES: CCC1=CC=C(NCCC(=O)C2=CC=C(Br)C=C2)C=C1

IUPAC: 1-(4-bromophenyl)-3-[(4-ethylphenyl)amino]propan-1-one

InChI: InChI=1S/C17H18BrNO/c1-2-13-3-9-16(10-4-13)19-12-11-17(20)14-5-7-15(18)8-6-14/h3-10,19H,2,11-12H2,1H3

Composition: C (61.46%), H (5.46%), Br (24.05%), N (4.22%), O (4.82%)

Molar Mass: 332.241

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	331.057177
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BPDBFCSMKSAANN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.12
Topological Polar Surface Area	29.1
Polarizability	32.92
Ring Count	2
Rotatable Bond Count	6

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