2-(2,3-difluoroanilino)butanamide

C10H12F2N2O — CID 62900030

IUPAC2-(2,3-difluoroanilino)butanamide
SMILESCCC(Nc1cccc(F)c1F)C(N)=O
InChIInChI=1S/C10H12F2N2O/c1-2-7(10(13)15)14-8-5-3-4-6(11)9(8)12/h3-5,7,14H,2H2,1H3,(H2,13,15)
InChIKeyXCZYCDGJURCKPT-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.64
Rot. Bonds4

About 2-(2,3-difluoroanilino)butanamide

2-(2,3-difluoroanilino)butanamide (PubChem CID 62900030) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2,3-difluoroanilino)butanamide.

Molecular Properties

Compound Name2-(2,3-difluoroanilino)butanamide
PubChem CID62900030
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name2-(2,3-difluoroanilino)butanamide
SMILESCCC(Nc1cccc(F)c1F)C(N)=O
InChIInChI=1S/C10H12F2N2O/c1-2-7(10(13)15)14-8-5-3-4-6(11)9(8)12/h3-5,7,14H,2H2,1H3,(H2,13,15)
InChIKeyXCZYCDGJURCKPT-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)butanamide
CID 60995502
2-(2,3-difluoroanilino)propanamide
CID 61075391
methyl 2-(3-fluoro-2-methylanilino)butanoate
CID 79118150
2-(2-ethoxyanilino)butanamide
CID 62900399
2,3-difluoro-N-pentan-2-ylaniline
CID 61074639
methyl 2-(2-cyano-3-fluoroanilino)butanoate
CID 115352415
2-(4-bromo-2,5-difluoroanilino)butanamide
CID 107611163
2-(1-aminopentan-2-ylamino)-6-fluorobenzamide
CID 79522229
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511
2-(4-chloro-2-iodoanilino)butanamide
CID 107635331
2-(2,4,5-trichloroanilino)butanamide
CID 62901359

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoroanilino)butanamide?
The IUPAC name of 2-(2,3-difluoroanilino)butanamide (CID 62900030) is 2-(2,3-difluoroanilino)butanamide.
What is the SMILES notation for 2-(2,3-difluoroanilino)butanamide?
The canonical SMILES for 2-(2,3-difluoroanilino)butanamide is CCC(Nc1cccc(F)c1F)C(N)=O.
What is the InChIKey of 2-(2,3-difluoroanilino)butanamide?
The InChIKey is XCZYCDGJURCKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-2-7(10(13)15)14-8-5-3-4-6(11)9(8)12/h3-5,7,14H,2H2,1H3,(H2,13,15).
What are the key properties of 2-(2,3-difluoroanilino)butanamide?
2-(2,3-difluoroanilino)butanamide has a molecular weight of 214.22 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoroanilino)butanamide is sourced from PubChem (CID 62900030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).