5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide

C16H16BrFN2O — CID 103295840

IUPAC5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2c(C)cc(Br)cc2C)c1F
InChIInChI=1S/C16H16BrFN2O/c1-8-6-12(19)7-13(14(8)18)16(21)20-15-9(2)4-11(17)5-10(15)3/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyXNLIESJXYNNVGJ-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.35
Rot. Bonds2

About 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide

5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 103295840) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID103295840
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(N)cc(C(=O)Nc2c(C)cc(Br)cc2C)c1F
InChIInChI=1S/C16H16BrFN2O/c1-8-6-12(19)7-13(14(8)18)16(21)20-15-9(2)4-11(17)5-10(15)3/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyXNLIESJXYNNVGJ-UHFFFAOYSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
2-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-fluorobenzamide
CID 28520538
N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959498
5-amino-N-(2-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 103295873
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
5-amino-N-(2-bromo-5-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 103296580
N-(2-amino-4-bromo-6-methylphenyl)-2,5-difluorobenzamide
CID 43549968

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide (CID 103295840) is 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide is Cc1cc(N)cc(C(=O)Nc2c(C)cc(Br)cc2C)c1F.
What is the InChIKey of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is XNLIESJXYNNVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-8-6-12(19)7-13(14(8)18)16(21)20-15-9(2)4-11(17)5-10(15)3/h4-7H,19H2,1-3H3,(H,20,21).
What are the key properties of 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide?
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 351.22 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103295840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).