N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

C11H4BrF7N2O — CID 15402157

IUPACN-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESN#Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1
InChIInChI=1S/C11H4BrF7N2O/c12-6-3-5(4-20)1-2-7(6)21-8(22)9(13,14)10(15,16)11(17,18)19/h1-3H,(H,21,22)
InChIKeySVIMEVADRBXGCU-UHFFFAOYSA-N
MW393.06 g/mol
LogP4.09
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 15402157) has the molecular formula C11H4BrF7N2O and a molecular weight of 393.06 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID15402157
Molecular FormulaC11H4BrF7N2O
Molecular Weight393.06 g/mol
Exact Mass391.94
IUPAC NameN-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESN#Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1
InChIInChI=1S/C11H4BrF7N2O/c12-6-3-5(4-20)1-2-7(6)21-8(22)9(13,14)10(15,16)11(17,18)19/h1-3H,(H,21,22)
InChIKeySVIMEVADRBXGCU-UHFFFAOYSA-N
XLogP4.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.06
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-N-hydroxybenzeneamine oxide
CID 163141219
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N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
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N-(2-bromo-4-cyanophenyl)-5-chlorofuran-2-carboxamide
CID 113231347
N-(2-bromo-4-cyanophenyl)-4-hydroxybutanamide
CID 79200804
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
N-(2-bromo-4-nitrophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 15402155
3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
2-bromo-N-(4-cyano-2-fluorophenyl)-2-methylpropanamide
CID 114328975
N-(2-bromo-4-cyanophenyl)-3-chloro-4-hydroxybenzamide
CID 107791108
2-(2-bromo-4-cyanoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103865855
1-amino-3-(2-bromo-4-cyanophenyl)thiourea
CID 107791409

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 15402157) is N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is N#Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is SVIMEVADRBXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrF7N2O/c12-6-3-5(4-20)1-2-7(6)21-8(22)9(13,14)10(15,16)11(17,18)19/h1-3H,(H,21,22).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 393.06 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 15402157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).