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

C14H12BrFN2O2 — CID 62680442

IUPAC4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H12BrFN2O2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-11(17)10(16)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeySBMXOOCNIXZTRJ-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.43
Rot. Bonds3

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

4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide (PubChem CID 62680442) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
PubChem CID62680442
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H12BrFN2O2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-11(17)10(16)6-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeySBMXOOCNIXZTRJ-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

4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
N-(2-amino-4-bromophenyl)-3,4-dimethoxybenzamide
CID 29008332
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
3-bromo-N-(5-bromo-2-methoxyphenyl)-5-fluorobenzamide
CID 47317753
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
2-amino-N-(5-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 62187195
N-(2-amino-4-bromophenyl)-3-chloro-4-methoxybenzamide
CID 91687665
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383
4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
CID 63187979

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide (CID 62680442) is 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide is COc1ccc(Br)cc1NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide?
The InChIKey is SBMXOOCNIXZTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-20-13-5-3-9(15)7-12(13)18-14(19)8-2-4-11(17)10(16)6-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide?
4-amino-N-(5-bromo-2-methoxyphenyl)-3-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 4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 62680442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).