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

C15H13FN2O4 — CID 31121389

IUPAC5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H13FN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)11-8-10(16)6-7-14(11)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyFURSRPWKUULNAC-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.30
Rot. Bonds4

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

5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (PubChem CID 31121389) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
PubChem CID31121389
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C15H13FN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)11-8-10(16)6-7-14(11)22-2/h3-8H,1-2H3,(H,17,19)
InChIKeyFURSRPWKUULNAC-UHFFFAOYSA-N
XLogP3.30
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
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

5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
2-bromo-4-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 18197993
1-N,3-N-bis(2-fluoro-3-nitrophenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141157410
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
2-bromo-5-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 18190907
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
3-bromo-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 106544040

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide (CID 31121389) is 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is COc1ccc(F)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
The InChIKey is FURSRPWKUULNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-9-12(4-3-5-13(9)18(20)21)17-15(19)11-8-10(16)6-7-14(11)22-2/h3-8H,1-2H3,(H,17,19).
What are the key properties of 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide?
5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide has a molecular weight of 304.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 31121389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).