N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide

C16H15BrFNO2 — CID 103274645

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(Br)c(F)cc2C)ccc1C
InChIInChI=1S/C16H15BrFNO2/c1-9-4-5-11(7-15(9)21-3)16(20)19-14-8-12(17)13(18)6-10(14)2/h4-8H,1-3H3,(H,19,20)
InChIKeyHXPFZHRVBQICNA-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.47
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide

N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide (PubChem CID 103274645) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
PubChem CID103274645
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2cc(Br)c(F)cc2C)ccc1C
InChIInChI=1S/C16H15BrFNO2/c1-9-4-5-11(7-15(9)21-3)16(20)19-14-8-12(17)13(18)6-10(14)2/h4-8H,1-3H3,(H,19,20)
InChIKeyHXPFZHRVBQICNA-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
CID 26690340
N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(5-bromo-4-fluoro-2-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 103278127
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
N-(5-bromo-4-fluoro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 103274651
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide (CID 103274645) is N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2cc(Br)c(F)cc2C)ccc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is HXPFZHRVBQICNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-9-4-5-11(7-15(9)21-3)16(20)19-14-8-12(17)13(18)6-10(14)2/h4-8H,1-3H3,(H,19,20).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 103274645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).