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

C11H9Cl2F4NO — CID 103732013

IUPACN-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H9Cl2F4NO/c1-18(10(19)11(16,17)9(14)15)5-6-2-3-7(12)4-8(6)13/h2-4,9H,5H2,1H3
InChIKeyPWAWVYVYHXCJBL-UHFFFAOYSA-N
MW318.10 g/mol
LogP3.85
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide (PubChem CID 103732013) has the molecular formula C11H9Cl2F4NO and a molecular weight of 318.10 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
PubChem CID103732013
Molecular FormulaC11H9Cl2F4NO
Molecular Weight318.10 g/mol
Exact Mass317.00
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H9Cl2F4NO/c1-18(10(19)11(16,17)9(14)15)5-6-2-3-7(12)4-8(6)13/h2-4,9H,5H2,1H3
InChIKeyPWAWVYVYHXCJBL-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.10
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731937
N-[(5-chloro-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178864
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
CID 178067840
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 167972061
6-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 9417730
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide (CID 103732013) is N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)C(F)(F)C(F)F.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
The InChIKey is PWAWVYVYHXCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F4NO/c1-18(10(19)11(16,17)9(14)15)5-6-2-3-7(12)4-8(6)13/h2-4,9H,5H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide has a molecular weight of 318.10 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide is sourced from PubChem (CID 103732013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).