N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide

C20H23FN2O2 — CID 9427990

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-14-8-9-15(2)18(12-14)22-19(24)13-23(3)20(25)11-10-16-6-4-5-7-17(16)21/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyPBFMHKSTYDHCOK-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide (PubChem CID 9427990) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
PubChem CID9427990
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2ccccc2F)c1
InChIInChI=1S/C20H23FN2O2/c1-14-8-9-15(2)18(12-14)22-19(24)13-23(3)20(25)11-10-16-6-4-5-7-17(16)21/h4-9,12H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyPBFMHKSTYDHCOK-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 51181026
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
N-(2,5-dimethylphenyl)-2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113151961
2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 17491744
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
3-(2,5-difluorophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55996807
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9035467
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384094
N-(2,5-dimethylphenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126068160
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenothiazin-10-ylpropanamide
CID 4222600
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide (CID 9427990) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCc2ccccc2F)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide?
The InChIKey is PBFMHKSTYDHCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14-8-9-15(2)18(12-14)22-19(24)13-23(3)20(25)11-10-16-6-4-5-7-17(16)21/h4-9,12H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide has a molecular weight of 342.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 9427990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).