2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

C17H15F3N2O2 — CID 51192378

IUPAC2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-22(10-11-4-2-3-5-14(11)19)16(23)9-21-17(24)13-7-6-12(18)8-15(13)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyKNPZJPSNFFNBLU-UHFFFAOYSA-N
MW336.31 g/mol
LogP2.49
Rot. Bonds5

About 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 51192378) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID51192378
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC Name2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H15F3N2O2/c1-22(10-11-4-2-3-5-14(11)19)16(23)9-21-17(24)13-7-6-12(18)8-15(13)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyKNPZJPSNFFNBLU-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4787297
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 29481344
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[(2,5-difluorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151954
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 51192378) is 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is CN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is KNPZJPSNFFNBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-22(10-11-4-2-3-5-14(11)19)16(23)9-21-17(24)13-7-6-12(18)8-15(13)20/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 336.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51192378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).