5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide

C16H14FN3O4 — CID 60567199

IUPAC5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C16H14FN3O4/c1-9-14(4-3-5-15(9)20(23)24)19-16(22)12-8-11(18-10(2)21)6-7-13(12)17/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyGZBJMYYTUHCHIQ-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.25
Rot. Bonds4

About 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide

5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 60567199) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID60567199
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1
InChIInChI=1S/C16H14FN3O4/c1-9-14(4-3-5-15(9)20(23)24)19-16(22)12-8-11(18-10(2)21)6-7-13(12)17/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyGZBJMYYTUHCHIQ-UHFFFAOYSA-N
XLogP3.25
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
5-acetamido-2-fluoro-N-(2-hydroxyphenyl)benzamide
CID 60571237
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 31121389
N-(5-amino-2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 43600155
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide (CID 60567199) is 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide is CC(=O)Nc1ccc(F)c(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is GZBJMYYTUHCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-9-14(4-3-5-15(9)20(23)24)19-16(22)12-8-11(18-10(2)21)6-7-13(12)17/h3-8H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide?
5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 331.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 60567199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).