2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide

C14H12BrFN2O2 — CID 60954882

IUPAC2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H12BrFN2O2/c1-20-9-3-4-12(17)10(7-9)14(19)18-13-5-2-8(16)6-11(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyGHJVCDAIXRMNJZ-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.43
Rot. Bonds3

About 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide

2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide (PubChem CID 60954882) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
PubChem CID60954882
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H12BrFN2O2/c1-20-9-3-4-12(17)10(7-9)14(19)18-13-5-2-8(16)6-11(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyGHJVCDAIXRMNJZ-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-(4-fluoro-2-iodophenyl)-5-methoxybenzamide
CID 79769439
2-amino-N-(2-bromo-4-methylphenyl)-5-fluorobenzamide
CID 43245616
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520
2-amino-N-(4-iodo-2-methylphenyl)-5-methoxybenzamide
CID 115412666
2-amino-N-(3-bromo-5-methoxyphenyl)-5-methoxybenzamide
CID 82859159
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
N-(2-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 112702520
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
2-amino-N-(2-hydroxy-4-methoxyphenyl)-5-methylbenzamide
CID 102695337

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide (CID 60954882) is 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)Nc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide?
The InChIKey is GHJVCDAIXRMNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c1-20-9-3-4-12(17)10(7-9)14(19)18-13-5-2-8(16)6-11(13)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide?
2-amino-N-(2-bromo-4-fluorophenyl)-5-methoxybenzamide 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-(2-bromo-4-fluorophenyl)-5-methoxybenzamide is sourced from PubChem (CID 60954882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).