N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide

C16H14BrFN2O2 — CID 46474246

IUPACN-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFN2O2/c1-9-3-4-14(19-10(2)21)8-15(9)20-16(22)11-5-12(17)7-13(18)6-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyBKOKYIXVCLUISM-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.11
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide

N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide (PubChem CID 46474246) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
PubChem CID46474246
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H14BrFN2O2/c1-9-3-4-14(19-10(2)21)8-15(9)20-16(22)11-5-12(17)7-13(18)6-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyBKOKYIXVCLUISM-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 46489276
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
3-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluorobenzamide
CID 107592505
3-bromo-N-[4-(dimethylamino)-3-methylphenyl]-5-fluorobenzamide
CID 55713089
3-bromo-N-(3-chloro-4-hydroxyphenyl)-5-fluorobenzamide
CID 63935702
N-(5-acetamido-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764048
N-(5-acetamido-2-methylphenyl)-5-bromofuran-2-carboxamide
CID 60764727
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide (CID 46474246) is N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide is CC(=O)Nc1ccc(C)c(NC(=O)c2cc(F)cc(Br)c2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide?
The InChIKey is BKOKYIXVCLUISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-9-3-4-14(19-10(2)21)8-15(9)20-16(22)11-5-12(17)7-13(18)6-11/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide?
N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide has a molecular weight of 365.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-bromo-5-fluorobenzamide is sourced from PubChem (CID 46474246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).