6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide

C16H15FN2O5 — CID 122144447

IUPAC6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCOc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OC
InChIInChI=1S/C16H15FN2O5/c1-9-4-5-10(19(21)22)8-12(9)18-16(20)14-11(17)6-7-13(23-2)15(14)24-3/h4-8H,1-3H3,(H,18,20)
InChIKeyNHSGFVYAOQWXBT-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.31
Rot. Bonds5

About 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide

6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 122144447) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID122144447
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCOc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OC
InChIInChI=1S/C16H15FN2O5/c1-9-4-5-10(19(21)22)8-12(9)18-16(20)14-11(17)6-7-13(23-2)15(14)24-3/h4-8H,1-3H3,(H,18,20)
InChIKeyNHSGFVYAOQWXBT-UHFFFAOYSA-N
XLogP3.31
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
3-fluoro-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 46615926
3-chloro-4,5-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 26576594
N-(2-methoxy-5-nitrophenyl)-2,5-dimethylbenzamide
CID 92556710
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
3-bromo-N-(2-methoxy-5-nitrophenyl)-4-methylbenzamide
CID 1013418
N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 19629420
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
(E)-3-(5-bromo-2-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 19206504
4-bromo-2,5-dimethyl-N-(2-methyl-5-nitrophenyl)furan-3-carboxamide
CID 55606742
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide (CID 122144447) is 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide is COc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OC.
What is the InChIKey of 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is NHSGFVYAOQWXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-9-4-5-10(19(21)22)8-12(9)18-16(20)14-11(17)6-7-13(23-2)15(14)24-3/h4-8H,1-3H3,(H,18,20).
What are the key properties of 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide?
6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 334.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dimethoxy-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 122144447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).