2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

C21H25FN2O3 — CID 55427222

IUPAC2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-27-19-8-5-4-7-18(19)21(26)23-14-6-9-20(25)24(2)15-16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,23,26)
InChIKeyCPZUPDGULXJIAZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.39
Rot. Bonds9

About 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide

2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (PubChem CID 55427222) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
PubChem CID55427222
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-27-19-8-5-4-7-18(19)21(26)23-14-6-9-20(25)24(2)15-16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,23,26)
InChIKeyCPZUPDGULXJIAZ-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
2-ethoxy-N-[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-4-oxobutyl]benzamide
CID 38304030
2-ethoxy-N-[4-oxo-4-(N,3,5-trimethylanilino)butyl]benzamide
CID 55919133
2-ethoxy-N-[4-[methyl(piperidin-4-yl)amino]-4-oxobutyl]benzamide
CID 119442533
2-ethoxy-N-[4-(2-ethoxy-4-fluoroanilino)-4-oxobutyl]benzamide
CID 87006201
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-[4-[cyclopentyl(ethyl)amino]-4-oxobutyl]-2-ethoxybenzamide
CID 134060964
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide (CID 55427222) is 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is CCOc1ccccc1C(=O)NCCCC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
The InChIKey is CPZUPDGULXJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-27-19-8-5-4-7-18(19)21(26)23-14-6-9-20(25)24(2)15-16-10-12-17(22)13-11-16/h4-5,7-8,10-13H,3,6,9,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide?
2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide has a molecular weight of 372.44 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 55427222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).