2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

C20H22F2N2O3 — CID 47058348

IUPAC2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCC(C)OCc1cccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C20H22F2N2O3/c1-13(2)27-12-15-5-3-4-14(8-15)10-23-19(25)11-24-20(26)17-7-6-16(21)9-18(17)22/h3-9,13H,10-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZHSJGDFMZNOABU-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.94
Rot. Bonds8

About 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide

2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (PubChem CID 47058348) 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-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
PubChem CID47058348
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
SMILESCC(C)OCc1cccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C20H22F2N2O3/c1-13(2)27-12-15-5-3-4-14(8-15)10-23-19(25)11-24-20(26)17-7-6-16(21)9-18(17)22/h3-9,13H,10-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZHSJGDFMZNOABU-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
2,4-difluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292194
2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55601134
N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 47058350
2,4-difluoro-N-[4-[(3-fluorophenyl)methylamino]-4-oxobutyl]benzamide
CID 46424834
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463
cyclopenta-1,3-diene;N-[2-(cyclopenta-1,4-dien-1-ylmethylamino)-2-oxoethyl]-2,4-difluorobenzamide;iron(2+)
CID 139239374
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294563
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide (CID 47058348) is 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is CC(C)OCc1cccc(CNC(=O)CNC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is ZHSJGDFMZNOABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-13(2)27-12-15-5-3-4-14(8-15)10-23-19(25)11-24-20(26)17-7-6-16(21)9-18(17)22/h3-9,13H,10-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide?
2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 2.94, 8 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-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 47058348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).