5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide

C14H10F2N2O4 — CID 71451916

IUPAC5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H10F2N2O4/c1-22-13-5-2-8(15)6-10(13)14(19)17-12-4-3-9(18(20)21)7-11(12)16/h2-7H,1H3,(H,17,19)
InChIKeyRFPUQVNJFFPHDY-UHFFFAOYSA-N
MW308.24 g/mol
LogP3.13
Rot. Bonds4

About 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide

5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide (PubChem CID 71451916) has the molecular formula C14H10F2N2O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide
PubChem CID71451916
Molecular FormulaC14H10F2N2O4
Molecular Weight308.24 g/mol
Exact Mass308.06
IUPAC Name5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H10F2N2O4/c1-22-13-5-2-8(15)6-10(13)14(19)17-12-4-3-9(18(20)21)7-11(12)16/h2-7H,1H3,(H,17,19)
InChIKeyRFPUQVNJFFPHDY-UHFFFAOYSA-N
XLogP3.13
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide?
The IUPAC name of 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide (CID 71451916) is 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide.
What is the SMILES notation for 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide?
The canonical SMILES for 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide is COc1ccc(F)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide?
The InChIKey is RFPUQVNJFFPHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4/c1-22-13-5-2-8(15)6-10(13)14(19)17-12-4-3-9(18(20)21)7-11(12)16/h2-7H,1H3,(H,17,19).
What are the key properties of 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide?
5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide has a molecular weight of 308.24 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methoxybenzamide is sourced from PubChem (CID 71451916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).