2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

C23H21FN2O2 — CID 24980231

IUPAC2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21FN2O2/c1-26(16-22(27)25-20-12-7-11-19(24)15-20)23(28)21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,25,27)
InChIKeyURRQTMLHTZWETD-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.13
Rot. Bonds6

About 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide

2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 24980231) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID24980231
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C23H21FN2O2/c1-26(16-22(27)25-20-12-7-11-19(24)15-20)23(28)21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,25,27)
InChIKeyURRQTMLHTZWETD-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
2-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 42056084
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-phenylethyl)benzamide
CID 24818015
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-2-(phenoxymethyl)benzamide
CID 167897883
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 24982328
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide (CID 24980231) is 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is URRQTMLHTZWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-26(16-22(27)25-20-12-7-11-19(24)15-20)23(28)21-13-6-5-10-18(21)14-17-8-3-2-4-9-17/h2-13,15H,14,16H2,1H3,(H,25,27).
What are the key properties of 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide?
2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 376.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 24980231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).