2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide

C16H15Br2NO — CID 103855381

IUPAC2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H15Br2NO/c1-3-11-9-12(17)7-8-14(11)19-16(20)13-6-4-5-10(2)15(13)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyZHOGADULQRDKAK-UHFFFAOYSA-N
MW397.11 g/mol
LogP5.33
Rot. Bonds3

About 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide

2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide (PubChem CID 103855381) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
PubChem CID103855381
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cccc(C)c1Br
InChIInChI=1S/C16H15Br2NO/c1-3-11-9-12(17)7-8-14(11)19-16(20)13-6-4-5-10(2)15(13)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyZHOGADULQRDKAK-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
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N-(4-bromo-2-ethylphenyl)-3-chloro-2-methylbenzamide
CID 107096920
2-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 103853459
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
1-(4-bromo-2-ethylphenyl)-3-(2,3-dimethylphenyl)thiourea
CID 19687710
2-bromo-N-(2-ethoxy-4-fluorophenyl)-3-methylbenzamide
CID 103853379
2-bromo-3-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 103857092
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
CID 81291060

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide?
The IUPAC name of 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide (CID 103855381) is 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide is CCc1cc(Br)ccc1NC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide?
The InChIKey is ZHOGADULQRDKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-3-11-9-12(17)7-8-14(11)19-16(20)13-6-4-5-10(2)15(13)18/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide?
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide has a molecular weight of 397.11 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide is sourced from PubChem (CID 103855381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).