N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

C12H9F7N2O2 — CID 167946081

IUPACN-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(=O)Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F7N2O2/c1-6(22)20-7-4-2-3-5-8(7)21-9(23)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3,(H,20,22)(H,21,23)
InChIKeyCOILDRDYJCDBOH-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.42
Rot. Bonds4

About N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 167946081) has the molecular formula C12H9F7N2O2 and a molecular weight of 346.20 g/mol. Its IUPAC name is N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID167946081
Molecular FormulaC12H9F7N2O2
Molecular Weight346.20 g/mol
Exact Mass346.06
IUPAC NameN-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCC(=O)Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F7N2O2/c1-6(22)20-7-4-2-3-5-8(7)21-9(23)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3,(H,20,22)(H,21,23)
InChIKeyCOILDRDYJCDBOH-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
N-(2-ethoxyphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4608995
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
CID 3121130
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
S-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl] 2,2,3,3,4,4,4-heptafluorobutanethioate
CID 91721170
2,2,3,3,4,4,4-heptafluoro-N-[2-(3-phenylpropanoylamino)phenyl]butanamide
CID 177391846
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
2,2,3,3,4,4,4-heptafluoro-N-[2-[N-(2,2,3,3,4,4,4-heptafluorobutanoyl)anilino]phenyl]butanamide
CID 91744876
[tert-butyl(dimethyl)silyl] 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzoate
CID 91744543
ethyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)benzoate
CID 5086660

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 167946081) is N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is CC(=O)Nc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is COILDRDYJCDBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F7N2O2/c1-6(22)20-7-4-2-3-5-8(7)21-9(23)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 346.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 167946081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).