2-(4-fluoroanilino)-4,4-dimethylpentanamide

C13H19FN2O — CID 55156388

IUPAC2-(4-fluoroanilino)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H19FN2O/c1-13(2,3)8-11(12(15)17)16-10-6-4-9(14)5-7-10/h4-7,11,16H,8H2,1-3H3,(H2,15,17)
InChIKeyJJWCHWOOJCHCIY-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-fluoroanilino)-4,4-dimethylpentanamide

2-(4-fluoroanilino)-4,4-dimethylpentanamide (PubChem CID 55156388) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-4,4-dimethylpentanamide
PubChem CID55156388
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(4-fluoroanilino)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(Nc1ccc(F)cc1)C(N)=O
InChIInChI=1S/C13H19FN2O/c1-13(2,3)8-11(12(15)17)16-10-6-4-9(14)5-7-10/h4-7,11,16H,8H2,1-3H3,(H2,15,17)
InChIKeyJJWCHWOOJCHCIY-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-4,4-dimethylpentanamide
CID 62950049
2-(3-fluoroanilino)-4,4-dimethylpentanamide
CID 55156390
2-(4-fluoroanilino)-4,4-dimethoxybutanamide
CID 66270904
4,4-dimethyl-2-(3-methylanilino)pentanamide
CID 62950237
4-methoxy-2-(4-methoxyanilino)-4-methylpentanamide
CID 106675870
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
3-(4-fluoroanilino)pentanamide
CID 76725039
2-(4-fluoroanilino)-3-methylbut-3-enamide
CID 114784366
methyl 2-(3-fluoro-5-methylanilino)-4,4-dimethylpentanoate
CID 79049650
2-(4-methoxyanilino)-4,4-dimethylpentanoic acid
CID 62950052

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-4,4-dimethylpentanamide?
The IUPAC name of 2-(4-fluoroanilino)-4,4-dimethylpentanamide (CID 55156388) is 2-(4-fluoroanilino)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(4-fluoroanilino)-4,4-dimethylpentanamide is CC(C)(C)CC(Nc1ccc(F)cc1)C(N)=O.
What is the InChIKey of 2-(4-fluoroanilino)-4,4-dimethylpentanamide?
The InChIKey is JJWCHWOOJCHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2,3)8-11(12(15)17)16-10-6-4-9(14)5-7-10/h4-7,11,16H,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-(4-fluoroanilino)-4,4-dimethylpentanamide?
2-(4-fluoroanilino)-4,4-dimethylpentanamide has a molecular weight of 238.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-4,4-dimethylpentanamide is sourced from PubChem (CID 55156388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).