4-amino-5-fluoro-2-methoxybenzamide

C8H9FN2O2 — CID 124706175

IUPAC4-amino-5-fluoro-2-methoxybenzamide
SMILESCOc1cc(N)c(F)cc1C(N)=O
InChIInChI=1S/C8H9FN2O2/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H2,11,12)
InChIKeyLGXUDZLKTNWYEQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.52
Rot. Bonds2

About 4-amino-5-fluoro-2-methoxybenzamide

4-amino-5-fluoro-2-methoxybenzamide (PubChem CID 124706175) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 4-amino-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-fluoro-2-methoxybenzamide
PubChem CID124706175
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name4-amino-5-fluoro-2-methoxybenzamide
SMILESCOc1cc(N)c(F)cc1C(N)=O
InChIInChI=1S/C8H9FN2O2/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H2,11,12)
InChIKeyLGXUDZLKTNWYEQ-UHFFFAOYSA-N
XLogP0.52
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.52
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

5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
2,5-dimethoxy-4-methylbenzamide
CID 82491295
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
4-amino-5-(2-chloroethyl)-2-methoxybenzamide
CID 91050451
1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
CID 165444384
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
2-amino-4,5-difluorobenzamide
CID 16640510
2,5-difluoro-4-methoxyaniline
CID 45090681
4-chloro-2-methoxybenzamide
CID 19741766
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
2-(4-amino-2-fluoro-5-methoxyphenoxy)benzamide
CID 107259815
4-bromo-3-fluoro-5-methoxy-2-methylbenzamide
CID 87278963

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-2-methoxybenzamide?
The IUPAC name of 4-amino-5-fluoro-2-methoxybenzamide (CID 124706175) is 4-amino-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-fluoro-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-fluoro-2-methoxybenzamide is COc1cc(N)c(F)cc1C(N)=O.
What is the InChIKey of 4-amino-5-fluoro-2-methoxybenzamide?
The InChIKey is LGXUDZLKTNWYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H2,11,12).
What are the key properties of 4-amino-5-fluoro-2-methoxybenzamide?
4-amino-5-fluoro-2-methoxybenzamide has a molecular weight of 184.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 124706175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).