N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

C11H6Cl2F7NO — CID 4159508

IUPACN-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6Cl2F7NO/c12-6-2-1-5(3-7(6)13)4-21-8(22)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2,(H,21,22)
InChIKeyWDINOHRKZONZOO-UHFFFAOYSA-N
MW372.07 g/mol
LogP4.44
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide

N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 4159508) has the molecular formula C11H6Cl2F7NO and a molecular weight of 372.07 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID4159508
Molecular FormulaC11H6Cl2F7NO
Molecular Weight372.07 g/mol
Exact Mass370.97
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6Cl2F7NO/c12-6-2-1-5(3-7(6)13)4-21-8(22)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2,(H,21,22)
InChIKeyWDINOHRKZONZOO-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.07
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5086006
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 103733439
N-[3-[(E)-N-[[2-(3,4-dichlorophenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 17310964
(1R,2R,3R,4R)-3-[(3,4-dichlorophenyl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124764183
N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 141124421
N-[(3,4-dichlorophenyl)methyl]pentanamide
CID 3343442
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19294300
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
8-(benzylamino)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-oxooctanoic acid
CID 159927010

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide (CID 4159508) is N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(NCc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is WDINOHRKZONZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F7NO/c12-6-2-1-5(3-7(6)13)4-21-8(22)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2,(H,21,22).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide?
N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 372.07 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 4159508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).