N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide

C11H9Cl2F4NO — CID 103731937

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C11H9Cl2F4NO/c12-7-2-1-6(8(13)5-7)3-4-18-10(19)11(16,17)9(14)15/h1-2,5,9H,3-4H2,(H,18,19)
InChIKeyNQGMJCHHFWVOII-UHFFFAOYSA-N
MW318.10 g/mol
LogP3.55
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide

N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103731937) has the molecular formula C11H9Cl2F4NO and a molecular weight of 318.10 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103731937
Molecular FormulaC11H9Cl2F4NO
Molecular Weight318.10 g/mol
Exact Mass317.00
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C11H9Cl2F4NO/c12-7-2-1-6(8(13)5-7)3-4-18-10(19)11(16,17)9(14)15/h1-2,5,9H,3-4H2,(H,18,19)
InChIKeyNQGMJCHHFWVOII-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.10
LogP ≤ 53.55
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

3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81484637
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2,2,3,3-tetrafluoro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 113250799
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide (CID 103731937) is N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide is O=C(NCCc1ccc(Cl)cc1Cl)C(F)(F)C(F)F.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is NQGMJCHHFWVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F4NO/c12-7-2-1-6(8(13)5-7)3-4-18-10(19)11(16,17)9(14)15/h1-2,5,9H,3-4H2,(H,18,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 318.10 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103731937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).