2-amino-6-fluoro-3-nitrobenzamide

C7H6FN3O3 — CID 103691919

IUPAC2-amino-6-fluoro-3-nitrobenzamide
SMILESNC(=O)c1c(F)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C7H6FN3O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,9H2,(H2,10,12)
InChIKeyDAJJMZZTNABYOO-UHFFFAOYSA-N
MW199.14 g/mol
LogP0.41
Rot. Bonds2

About 2-amino-6-fluoro-3-nitrobenzamide

2-amino-6-fluoro-3-nitrobenzamide (PubChem CID 103691919) has the molecular formula C7H6FN3O3 and a molecular weight of 199.14 g/mol. Its IUPAC name is 2-amino-6-fluoro-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-6-fluoro-3-nitrobenzamide
PubChem CID103691919
Molecular FormulaC7H6FN3O3
Molecular Weight199.14 g/mol
Exact Mass199.04
IUPAC Name2-amino-6-fluoro-3-nitrobenzamide
SMILESNC(=O)c1c(F)ccc([N+](=O)[O-])c1N
InChIInChI=1S/C7H6FN3O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,9H2,(H2,10,12)
InChIKeyDAJJMZZTNABYOO-UHFFFAOYSA-N
XLogP0.41
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Nitrobenzamide
CID 12576
2-Nitrobenzamide
CID 11876
Benzamide, 2-amino-3,5-dinitro-
CID 198148
2-Nitrobenzenecarbohydroxamic acid
CID 10940975
2-Amino-5-nitrobenzamide
CID 97665
3-Nitrophthalamide
CID 3956153
7-Nitro-1,2-dihydroindazol-3-one
CID 5708331
2-Methyl-6-nitrobenzamide
CID 11435293
2-Amino-6-nitrobenzamide
CID 54407937
2,3-Dinitrobenzamide
CID 606817
(2-Amino-3-nitrophenyl)-phenylmethanone
CID 4039444
4,5-Difluoro-2-nitrobenzamide
CID 710777

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-3-nitrobenzamide?
The IUPAC name of 2-amino-6-fluoro-3-nitrobenzamide (CID 103691919) is 2-amino-6-fluoro-3-nitrobenzamide.
What is the SMILES notation for 2-amino-6-fluoro-3-nitrobenzamide?
The canonical SMILES for 2-amino-6-fluoro-3-nitrobenzamide is NC(=O)c1c(F)ccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-6-fluoro-3-nitrobenzamide?
The InChIKey is DAJJMZZTNABYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O3/c8-3-1-2-4(11(13)14)6(9)5(3)7(10)12/h1-2H,9H2,(H2,10,12).
What are the key properties of 2-amino-6-fluoro-3-nitrobenzamide?
2-amino-6-fluoro-3-nitrobenzamide has a molecular weight of 199.14 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-3-nitrobenzamide is sourced from PubChem (CID 103691919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).