3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide

C17H17FN2O5 — CID 875669

IUPAC3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESCCOc1cc(OCC)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H17FN2O5/c1-3-24-13-7-11(8-14(10-13)25-4-2)17(21)19-12-5-6-15(18)16(9-12)20(22)23/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyVWYSUORUDWNACP-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.78
Rot. Bonds7

About 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide

3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 875669) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID875669
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESCCOc1cc(OCC)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H17FN2O5/c1-3-24-13-7-11(8-14(10-13)25-4-2)17(21)19-12-5-6-15(18)16(9-12)20(22)23/h5-10H,3-4H2,1-2H3,(H,19,21)
InChIKeyVWYSUORUDWNACP-UHFFFAOYSA-N
XLogP3.78
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.78
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

3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
6-ethoxy-N-(4-fluoro-3-nitrophenyl)pyrimidine-4-carboxamide
CID 121167574
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
CID 9076960
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
3-fluoro-N-(4-fluoro-3-nitrophenyl)-5-(trifluoromethyl)benzamide
CID 67040567
4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
CID 8732756

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide (CID 875669) is 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide is CCOc1cc(OCC)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is VWYSUORUDWNACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-3-24-13-7-11(8-14(10-13)25-4-2)17(21)19-12-5-6-15(18)16(9-12)20(22)23/h5-10H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide?
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide has a molecular weight of 348.33 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 875669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).