3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide

C17H17FN2O5 — CID 9076960

IUPAC3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C17H17FN2O5/c1-3-25-10-12-8-11(4-7-16(12)24-2)17(21)19-13-5-6-14(18)15(9-13)20(22)23/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyWUAWIGHFYUOVDP-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.53
Rot. Bonds7

About 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide

3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide (PubChem CID 9076960) has the molecular formula C17H17FN2O5 and a molecular weight of 348.33 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
PubChem CID9076960
Molecular FormulaC17H17FN2O5
Molecular Weight348.33 g/mol
Exact Mass348.11
IUPAC Name3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1OC
InChIInChI=1S/C17H17FN2O5/c1-3-25-10-12-8-11(4-7-16(12)24-2)17(21)19-13-5-6-14(18)15(9-13)20(22)23/h4-9H,3,10H2,1-2H3,(H,19,21)
InChIKeyWUAWIGHFYUOVDP-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 36843513
4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
CID 26696729
N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 9079006
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 24516145
N-(3,4-difluorophenyl)-4-ethoxy-3-nitrobenzamide
CID 9392336
N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
CID 9086633
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575664
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3377488
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(4-fluoro-3-nitrophenyl)-2-methoxy-5-nitrobenzamide
CID 60606316

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide?
The IUPAC name of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide (CID 9076960) is 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide?
The canonical SMILES for 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide is CCOCc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1OC.
What is the InChIKey of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide?
The InChIKey is WUAWIGHFYUOVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5/c1-3-25-10-12-8-11(4-7-16(12)24-2)17(21)19-13-5-6-14(18)15(9-13)20(22)23/h4-9H,3,10H2,1-2H3,(H,19,21).
What are the key properties of 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide?
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide has a molecular weight of 348.33 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide is sourced from PubChem (CID 9076960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).