2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide

C20H22F2N2O3 — CID 46536800

IUPAC2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
SMILESCC(OCCCNC(=O)CNC(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H22F2N2O3/c1-14(15-6-3-2-4-7-15)27-11-5-10-23-19(25)13-24-20(26)17-9-8-16(21)12-18(17)22/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyYRMCKUXGWOMRFV-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.98
Rot. Bonds9

About 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide (PubChem CID 46536800) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
PubChem CID46536800
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
SMILESCC(OCCCNC(=O)CNC(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C20H22F2N2O3/c1-14(15-6-3-2-4-7-15)27-11-5-10-23-19(25)13-24-20(26)17-9-8-16(21)12-18(17)22/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyYRMCKUXGWOMRFV-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
2-(3-bromo-4-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 60526818
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29495039
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24594828
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
2,4-difluoro-N-[2-[3-[methyl(methylsulfonyl)amino]propylamino]-2-oxoethyl]benzamide
CID 46434276

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide (CID 46536800) is 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide is CC(OCCCNC(=O)CNC(=O)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
The InChIKey is YRMCKUXGWOMRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-14(15-6-3-2-4-7-15)27-11-5-10-23-19(25)13-24-20(26)17-9-8-16(21)12-18(17)22/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide is sourced from PubChem (CID 46536800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).