2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide

C10H9F5N2O — CID 106291883

IUPAC2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNc1c(F)cccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H9F5N2O/c11-6-3-1-2-5(7(6)16)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4,16H2,(H,17,18)
InChIKeyYEIBUPWJNJVADY-UHFFFAOYSA-N
MW268.18 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide

2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106291883) has the molecular formula C10H9F5N2O and a molecular weight of 268.18 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106291883
Molecular FormulaC10H9F5N2O
Molecular Weight268.18 g/mol
Exact Mass268.06
IUPAC Name2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESNc1c(F)cccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C10H9F5N2O/c11-6-3-1-2-5(7(6)16)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4,16H2,(H,17,18)
InChIKeyYEIBUPWJNJVADY-UHFFFAOYSA-N
XLogP2.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-fluorobenzamide
CID 62649866
2-amino-3-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 96696408
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 114168954
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
2-amino-3-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 114182709
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106289141
2-amino-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63962308

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106291883) is 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide is Nc1c(F)cccc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is YEIBUPWJNJVADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O/c11-6-3-1-2-5(7(6)16)8(18)17-4-10(14,15)9(12)13/h1-3,9H,4,16H2,(H,17,18).
What are the key properties of 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide?
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 268.18 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106291883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).