4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide

C15H13FN2O4 — CID 3342317

IUPAC4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C15H13FN2O4/c1-2-22-12-6-3-10(4-7-12)15(19)17-14-9-11(18(20)21)5-8-13(14)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeyUMDYWRZDKRDEJP-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.38
Rot. Bonds5

About 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide

4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide (PubChem CID 3342317) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
PubChem CID3342317
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1
InChIInChI=1S/C15H13FN2O4/c1-2-22-12-6-3-10(4-7-12)15(19)17-14-9-11(18(20)21)5-8-13(14)16/h3-9H,2H2,1H3,(H,17,19)
InChIKeyUMDYWRZDKRDEJP-UHFFFAOYSA-N
XLogP3.38
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.38
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

N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
N-(2-fluoro-5-nitrophenyl)-4-(methoxymethyl)benzamide
CID 78788740
4-(diethylamino)-N-(2-fluoro-5-nitrophenyl)benzamide
CID 23877677
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
3-bromo-4-butoxy-N-(2-fluoro-5-nitrophenyl)benzamide
CID 4955751
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
4-heptoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 4950611
3,4,5-triethoxy-N-[(2-fluoro-5-nitrophenyl)carbamothioyl]benzamide
CID 1339210
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
4-butoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4936149

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide (CID 3342317) is 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide is CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1.
What is the InChIKey of 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide?
The InChIKey is UMDYWRZDKRDEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-2-22-12-6-3-10(4-7-12)15(19)17-14-9-11(18(20)21)5-8-13(14)16/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide?
4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide has a molecular weight of 304.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-fluoro-5-nitrophenyl)benzamide is sourced from PubChem (CID 3342317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).