2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide

C15H14BrFN2O2 — CID 81499961

IUPAC2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cccc(F)c1N
InChIInChI=1S/C15H14BrFN2O2/c1-8-6-9(16)7-12(21-2)14(8)19-15(20)10-4-3-5-11(17)13(10)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyJXOXTVDSYMUOTK-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide

2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide (PubChem CID 81499961) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
PubChem CID81499961
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1cccc(F)c1N
InChIInChI=1S/C15H14BrFN2O2/c1-8-6-9(16)7-12(21-2)14(8)19-15(20)10-4-3-5-11(17)13(10)18/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyJXOXTVDSYMUOTK-UHFFFAOYSA-N
XLogP3.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
N-(4-bromo-2,6-difluorophenyl)-2-methoxybenzamide
CID 65499723
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
N-(2-amino-4-bromo-6-methylphenyl)-2-methoxy-5-methylbenzamide
CID 62504551
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
1-(2-amino-3-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116597773
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide (CID 81499961) is 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide is COc1cc(Br)cc(C)c1NC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide?
The InChIKey is JXOXTVDSYMUOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-8-6-9(16)7-12(21-2)14(8)19-15(20)10-4-3-5-11(17)13(10)18/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide?
2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide has a molecular weight of 353.19 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 81499961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).