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

C14H12BrFN2O2 — CID 107948694

IUPACN-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H12BrFN2O2/c1-20-12-6-5-8(17)7-11(12)18-14(19)9-3-2-4-10(15)13(9)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLLZBUODDSQOIAM-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.43
Rot. Bonds3

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

N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide (PubChem CID 107948694) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
PubChem CID107948694
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC NameN-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
SMILESCOc1ccc(N)cc1NC(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H12BrFN2O2/c1-20-12-6-5-8(17)7-11(12)18-14(19)9-3-2-4-10(15)13(9)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLLZBUODDSQOIAM-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

N-(5-bromo-2-methoxyphenyl)-3-chloro-2-fluorobenzamide
CID 80974125
3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 107951997
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797723
N-(5-amino-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 16788518
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
N-(2-amino-5-chlorophenyl)-3-bromo-2-fluorobenzamide
CID 107948709
2-bromo-N-(2-methoxy-5-methylphenyl)-3-methylbenzamide
CID 103852727

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide (CID 107948694) is N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide is COc1ccc(N)cc1NC(=O)c1cccc(Br)c1F.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide?
The InChIKey is LLZBUODDSQOIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-20-12-6-5-8(17)7-11(12)18-14(19)9-3-2-4-10(15)13(9)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide?
N-(5-amino-2-methoxyphenyl)-3-bromo-2-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 N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 107948694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).