2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide

C8H8FN3O2 — CID 142761632

IUPAC2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide
SMILESC/N=C(\N)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H8FN3O2/c1-11-8(10)6-3-2-5(12(13)14)4-7(6)9/h2-4H,1H3,(H2,10,11)
InChIKeyYJWJKKJYJXVUMK-UHFFFAOYSA-N
MW197.17 g/mol
LogP1.07
Rot. Bonds2

About 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide

2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide (PubChem CID 142761632) has the molecular formula C8H8FN3O2 and a molecular weight of 197.17 g/mol. Its IUPAC name is 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide
PubChem CID142761632
Molecular FormulaC8H8FN3O2
Molecular Weight197.17 g/mol
Exact Mass197.06
IUPAC Name2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide
SMILESC/N=C(\N)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H8FN3O2/c1-11-8(10)6-3-2-5(12(13)14)4-7(6)9/h2-4H,1H3,(H2,10,11)
InChIKeyYJWJKKJYJXVUMK-UHFFFAOYSA-N
XLogP1.07
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

2-fluoro-4-nitro-N-oxobenzamide
CID 89146767
2-fluoro-4-nitrobenzoyl chloride
CID 10420435
N-(1-amino-3-methylbutan-2-yl)-2-fluoro-4-nitrobenzamide
CID 65191293
2,3-dimethylbutanoyl 2-fluoro-4-nitrobenzoate
CID 174851123
3-(2-fluoro-4-nitrophenyl)-3-oxopropanoic acid
CID 67768369
(2R)-4-(2-fluoro-4-nitrophenyl)-4-iminobutan-2-amine
CID 174519369
4-amino-2-fluoro-N-(trideuteriomethyl)benzamide;2-fluoro-4-nitro-N-(trideuteriomethyl)benzamide
CID 161172413
2,6-difluoro-N'-methyl-3-nitrobenzenecarboximidamide
CID 79768181
N-(5-bromopentan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316520
methyl 1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylate
CID 61060212
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide (CID 142761632) is 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide is C/N=C(\N)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide?
The InChIKey is YJWJKKJYJXVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O2/c1-11-8(10)6-3-2-5(12(13)14)4-7(6)9/h2-4H,1H3,(H2,10,11).
What are the key properties of 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide?
2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide has a molecular weight of 197.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-methyl-4-nitrobenzenecarboximidamide is sourced from PubChem (CID 142761632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).