N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide

C9H4Cl2F5NO — CID 14274634

IUPACN-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4Cl2F5NO/c10-5-2-1-4(3-6(5)11)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18)
InChIKeyAZBWSUJXZKMFES-UHFFFAOYSA-N
MW308.03 g/mol
LogP4.13
Rot. Bonds2

About N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide

N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 14274634) has the molecular formula C9H4Cl2F5NO and a molecular weight of 308.03 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID14274634
Molecular FormulaC9H4Cl2F5NO
Molecular Weight308.03 g/mol
Exact Mass306.96
IUPAC NameN-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4Cl2F5NO/c10-5-2-1-4(3-6(5)11)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18)
InChIKeyAZBWSUJXZKMFES-UHFFFAOYSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.03
LogP ≤ 54.13
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-(3,4-dichlorophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 5195102
N-(3,4-dichlorophenyl)-N'-(4-fluorophenyl)-2,2-dimethylpropanediamide
CID 108968831
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114037844
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
4-(2,2,3,3,3-pentafluoropropanoylamino)benzoic acid
CID 6612355
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038120
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide (CID 14274634) is N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide is O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is AZBWSUJXZKMFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F5NO/c10-5-2-1-4(3-6(5)11)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide?
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 308.03 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 14274634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).