3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide

C11H12F2N2O2 — CID 107121271

IUPAC3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
SMILESNc1cc(F)cc(C(=O)NC2CCOC2)c1F
InChIInChI=1S/C11H12F2N2O2/c12-6-3-8(10(13)9(14)4-6)11(16)15-7-1-2-17-5-7/h3-4,7H,1-2,5,14H2,(H,15,16)
InChIKeyKYVWGSMUHYTJDM-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.07
Rot. Bonds2

About 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide

3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide (PubChem CID 107121271) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
PubChem CID107121271
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
SMILESNc1cc(F)cc(C(=O)NC2CCOC2)c1F
InChIInChI=1S/C11H12F2N2O2/c12-6-3-8(10(13)9(14)4-6)11(16)15-7-1-2-17-5-7/h3-4,7H,1-2,5,14H2,(H,15,16)
InChIKeyKYVWGSMUHYTJDM-UHFFFAOYSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
CID 107120671
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,5-difluorobenzamide
CID 107121293
5-fluoro-2-nitro-N-(oxolan-3-yl)benzamide
CID 80717470
3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
CID 107872966
5-chloro-2-fluoro-3-(oxolan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 80714550
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
3-fluoro-5-iodo-N-(oxolan-3-yl)benzamide
CID 172647618
3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide
CID 107121182
2,5-difluoro-4-nitro-N-(oxolan-3-yl)benzamide
CID 113322132

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide (CID 107121271) is 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide is Nc1cc(F)cc(C(=O)NC2CCOC2)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide?
The InChIKey is KYVWGSMUHYTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-6-3-8(10(13)9(14)4-6)11(16)15-7-1-2-17-5-7/h3-4,7H,1-2,5,14H2,(H,15,16).
What are the key properties of 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide?
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide has a molecular weight of 242.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 107121271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).