2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide

C14H12BrFN2O2 — CID 82859029

IUPAC2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C14H12BrFN2O2/c1-20-11-5-8(15)4-10(7-11)18-14(19)12-3-2-9(16)6-13(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVJXUGJKALDSMCU-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.43
Rot. Bonds3

About 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide

2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide (PubChem CID 82859029) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
PubChem CID82859029
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide
SMILESCOc1cc(Br)cc(NC(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C14H12BrFN2O2/c1-20-11-5-8(15)4-10(7-11)18-14(19)12-3-2-9(16)6-13(12)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyVJXUGJKALDSMCU-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.43
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

2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
4-amino-3-bromo-N-(3-bromo-5-methoxyphenyl)benzamide
CID 82867322
2-amino-4-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 63109763
2-amino-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836981
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
N-(3-bromo-5-methoxyphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388544
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide (CID 82859029) is 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide is COc1cc(Br)cc(NC(=O)c2ccc(F)cc2N)c1.
What is the InChIKey of 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide?
The InChIKey is VJXUGJKALDSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-20-11-5-8(15)4-10(7-11)18-14(19)12-3-2-9(16)6-13(12)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide?
2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide has a molecular weight of 339.16 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-5-methoxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 82859029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).