N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide

C16H17FN2O — CID 9098883

IUPACN-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(F)c2)cc1C
InChIInChI=1S/C16H17FN2O/c1-11-6-7-15(8-12(11)2)19-16(20)10-18-14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyOCPZVIBHTSQUNH-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.49
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide

N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide (PubChem CID 9098883) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
PubChem CID9098883
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(F)c2)cc1C
InChIInChI=1S/C16H17FN2O/c1-11-6-7-15(8-12(11)2)19-16(20)10-18-14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyOCPZVIBHTSQUNH-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methoxyanilino)-N-(3-fluorophenyl)acetamide
CID 114839513
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-(2,6-difluorophenyl)-2-(3,4-dimethylanilino)acetamide
CID 39395142
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-[4-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 43408515
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
2-(4-ethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 28569623
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide (CID 9098883) is N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide is Cc1ccc(NC(=O)CNc2cccc(F)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide?
The InChIKey is OCPZVIBHTSQUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-7-15(8-12(11)2)19-16(20)10-18-14-5-3-4-13(17)9-14/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide?
N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide has a molecular weight of 272.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-fluoroanilino)acetamide is sourced from PubChem (CID 9098883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).