(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide

C17H18F2N2O — CID 40954484

IUPAC(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
SMILESCc1ccc(C)c(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-10-4-5-11(2)15(8-10)20-12(3)17(22)21-16-9-13(18)6-7-14(16)19/h4-9,12,20H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyYZCNMZPOKNNPPR-GFCCVEGCSA-N
MW304.34 g/mol
LogP4.02
Rot. Bonds4

About (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide

(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide (PubChem CID 40954484) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
PubChem CID40954484
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide
SMILESCc1ccc(C)c(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c1
InChIInChI=1S/C17H18F2N2O/c1-10-4-5-11(2)15(8-10)20-12(3)17(22)21-16-9-13(18)6-7-14(16)19/h4-9,12,20H,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyYZCNMZPOKNNPPR-GFCCVEGCSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
2-(2,3-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 46757405
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
N-(4-acetylphenyl)-2-(2,5-dimethylanilino)propanamide
CID 17428772
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
4-fluoro-N-(2-fluoro-5-methylphenyl)-2-methylbenzamide
CID 112702327
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 42939047
(2R)-2-(2,5-dimethylanilino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 8566328
(2S)-N-(5-fluoro-2-methylphenyl)-2-[(6-methoxypyrimidin-4-yl)amino]propanamide
CID 95120289
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide?
The IUPAC name of (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide (CID 40954484) is (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide.
What is the SMILES notation for (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide?
The canonical SMILES for (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide is Cc1ccc(C)c(N[C@H](C)C(=O)Nc2cc(F)ccc2F)c1.
What is the InChIKey of (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide?
The InChIKey is YZCNMZPOKNNPPR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-10-4-5-11(2)15(8-10)20-12(3)17(22)21-16-9-13(18)6-7-14(16)19/h4-9,12,20H,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide?
(2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide has a molecular weight of 304.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-difluorophenyl)-2-(2,5-dimethylanilino)propanamide is sourced from PubChem (CID 40954484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).