2-(2-fluoroanilino)butanamide

C10H13FN2O — CID 60995502

IUPAC2-(2-fluoroanilino)butanamide
SMILESCCC(Nc1ccccc1F)C(N)=O
InChIInChI=1S/C10H13FN2O/c1-2-8(10(12)14)13-9-6-4-3-5-7(9)11/h3-6,8,13H,2H2,1H3,(H2,12,14)
InChIKeyULIDJDKYRJUFHF-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-fluoroanilino)butanamide

2-(2-fluoroanilino)butanamide (PubChem CID 60995502) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(2-fluoroanilino)butanamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)butanamide
PubChem CID60995502
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name2-(2-fluoroanilino)butanamide
SMILESCCC(Nc1ccccc1F)C(N)=O
InChIInChI=1S/C10H13FN2O/c1-2-8(10(12)14)13-9-6-4-3-5-7(9)11/h3-6,8,13H,2H2,1H3,(H2,12,14)
InChIKeyULIDJDKYRJUFHF-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluoroanilino)butanamide
CID 62900030
2-(2-ethoxyanilino)butanamide
CID 62900399
2-(4-ethylphenyl)-2-(2-fluoroanilino)acetamide
CID 60997046
ethyl 2-(2-fluoroanilino)heptanoate
CID 54890514
2-(2-fluoroanilino)-2-(4-fluorophenyl)acetamide
CID 60710855
ethyl 2-(2-fluoroanilino)-2-(4-hydroxyphenyl)acetate
CID 61001373
N'-cyclopropyl-2-(2-fluoroanilino)butanediamide
CID 66429998
2-(4-bromo-2,5-difluoroanilino)butanamide
CID 107611163
methyl 2-(3-fluoro-2-methylanilino)butanoate
CID 79118150
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
methyl 2-(2-cyano-3-fluoroanilino)butanoate
CID 115352415
2-(4-chloro-2-iodoanilino)butanamide
CID 107635331

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)butanamide?
The IUPAC name of 2-(2-fluoroanilino)butanamide (CID 60995502) is 2-(2-fluoroanilino)butanamide.
What is the SMILES notation for 2-(2-fluoroanilino)butanamide?
The canonical SMILES for 2-(2-fluoroanilino)butanamide is CCC(Nc1ccccc1F)C(N)=O.
What is the InChIKey of 2-(2-fluoroanilino)butanamide?
The InChIKey is ULIDJDKYRJUFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-2-8(10(12)14)13-9-6-4-3-5-7(9)11/h3-6,8,13H,2H2,1H3,(H2,12,14).
What are the key properties of 2-(2-fluoroanilino)butanamide?
2-(2-fluoroanilino)butanamide has a molecular weight of 196.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)butanamide is sourced from PubChem (CID 60995502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).