2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide

C21H25FN2O4 — CID 87006201

IUPAC2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
SMILESCCOc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C21H25FN2O4/c1-3-27-18-9-6-5-8-16(18)21(26)23-13-7-10-20(25)24-17-12-11-15(22)14-19(17)28-4-2/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyYTSKMMUORRHURW-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.77
Rot. Bonds10

About 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide

2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide (PubChem CID 87006201) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
PubChem CID87006201
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
SMILESCCOc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C21H25FN2O4/c1-3-27-18-9-6-5-8-16(18)21(26)23-13-7-10-20(25)24-17-12-11-15(22)14-19(17)28-4-2/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyYTSKMMUORRHURW-UHFFFAOYSA-N
XLogP3.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(difluoromethoxy)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 51237492
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
N-[4-(2,3-dichloroanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 26586169
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
N-[4-(3-acetylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 9078863
2-ethoxy-N-[4-(4-fluoro-3-nitroanilino)-4-oxobutyl]benzamide
CID 9077017
N-[4-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55727316
2-ethoxy-N-[4-[4-(methylcarbamoyl)anilino]-4-oxobutyl]benzamide
CID 9091546
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
N-[4-[3-(2,2-dimethylpropanoylamino)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55532439
N-[4-[2-chloro-5-(diethylsulfamoyl)anilino]-4-oxobutyl]-2-ethoxybenzamide
CID 55427118

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide (CID 87006201) is 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide is CCOc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide?
The InChIKey is YTSKMMUORRHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-3-27-18-9-6-5-8-16(18)21(26)23-13-7-10-20(25)24-17-12-11-15(22)14-19(17)28-4-2/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide?
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide has a molecular weight of 388.44 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide is sourced from PubChem (CID 87006201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).