4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide

C22H27FN2O3 — CID 18113059

IUPAC4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O3/c1-3-5-14-28-20-12-8-18(9-13-20)22(27)25(4-2)16-21(26)24-15-17-6-10-19(23)11-7-17/h6-13H,3-5,14-16H2,1-2H3,(H,24,26)
InChIKeyVHOZENWKGFNJIY-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.78
Rot. Bonds10

About 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide

4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 18113059) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID18113059
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H27FN2O3/c1-3-5-14-28-20-12-8-18(9-13-20)22(27)25(4-2)16-21(26)24-15-17-6-10-19(23)11-7-17/h6-13H,3-5,14-16H2,1-2H3,(H,24,26)
InChIKeyVHOZENWKGFNJIY-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.78
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

3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
CID 18280419
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7788103
2-[ethyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55326117
2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride
CID 3026080
3-(dimethylsulfamoyl)-N-ethyl-4-fluoro-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55792417
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-propoxybenzamide
CID 39903137
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 4132803
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7261239
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770583
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide (CID 18113059) is 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is VHOZENWKGFNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-3-5-14-28-20-12-8-18(9-13-20)22(27)25(4-2)16-21(26)24-15-17-6-10-19(23)11-7-17/h6-13H,3-5,14-16H2,1-2H3,(H,24,26).
What are the key properties of 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide?
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 386.47 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18113059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).