N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide

C23H20F2N2O3 — CID 167897883

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H20F2N2O3/c1-27(14-22(28)26-19-12-17(24)11-18(25)13-19)23(29)21-10-6-5-7-16(21)15-30-20-8-3-2-4-9-20/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyIGJNFEKRLYYCAA-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide (PubChem CID 167897883) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide
PubChem CID167897883
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H20F2N2O3/c1-27(14-22(28)26-19-12-17(24)11-18(25)13-19)23(29)21-10-6-5-7-16(21)15-30-20-8-3-2-4-9-20/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyIGJNFEKRLYYCAA-UHFFFAOYSA-N
XLogP4.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24980231
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 86883563
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
CID 24818015
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
2-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 42056084
2-fluoro-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 8781656
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439699
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide (CID 167897883) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide is CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide?
The InChIKey is IGJNFEKRLYYCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-27(14-22(28)26-19-12-17(24)11-18(25)13-19)23(29)21-10-6-5-7-16(21)15-30-20-8-3-2-4-9-20/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide has a molecular weight of 410.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 167897883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).