N-(3,5-difluorophenyl)-3-oxobutanamide

C10H9F2NO2 — CID 18072687

IUPACN-(3,5-difluorophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO2/c1-6(14)2-10(15)13-9-4-7(11)3-8(12)5-9/h3-5H,2H2,1H3,(H,13,15)
InChIKeyWCCGDBZNJKMNDQ-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.88
Rot. Bonds3

About N-(3,5-difluorophenyl)-3-oxobutanamide

N-(3,5-difluorophenyl)-3-oxobutanamide (PubChem CID 18072687) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-oxobutanamide
PubChem CID18072687
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC NameN-(3,5-difluorophenyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO2/c1-6(14)2-10(15)13-9-4-7(11)3-8(12)5-9/h3-5H,2H2,1H3,(H,13,15)
InChIKeyWCCGDBZNJKMNDQ-UHFFFAOYSA-N
XLogP1.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluorophenyl)butanamide
CID 17271988
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
N-(3,5-difluorophenyl)-2-(methylamino)acetamide;hydrochloride
CID 50988525
N-(3-fluoro-5-methylphenyl)propanamide
CID 79047082
5-(3,5-difluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 60699322
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
N-(3-fluoro-5-methylphenyl)-2-(methylamino)acetamide
CID 79050421
3-oxo-N-phenylbutanamide
CID 161275903
5-chloro-N-(3,5-difluorophenyl)pentanamide
CID 28733613
2-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43241622
N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205419
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-oxobutanamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-oxobutanamide (CID 18072687) is N-(3,5-difluorophenyl)-3-oxobutanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-oxobutanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-oxobutanamide?
The InChIKey is WCCGDBZNJKMNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-6(14)2-10(15)13-9-4-7(11)3-8(12)5-9/h3-5H,2H2,1H3,(H,13,15).
What are the key properties of N-(3,5-difluorophenyl)-3-oxobutanamide?
N-(3,5-difluorophenyl)-3-oxobutanamide has a molecular weight of 213.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-oxobutanamide is sourced from PubChem (CID 18072687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).