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

C11H10ClF4NO — CID 103732007

IUPACN-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H10ClF4NO/c1-17(10(18)11(15,16)9(13)14)6-7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3
InChIKeyHBNRBYPGRXMJRZ-UHFFFAOYSA-N
MW283.65 g/mol
LogP3.20
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide (PubChem CID 103732007) has the molecular formula C11H10ClF4NO and a molecular weight of 283.65 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
PubChem CID103732007
Molecular FormulaC11H10ClF4NO
Molecular Weight283.65 g/mol
Exact Mass283.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
SMILESCN(Cc1ccccc1Cl)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C11H10ClF4NO/c1-17(10(18)11(15,16)9(13)14)6-7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3
InChIKeyHBNRBYPGRXMJRZ-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.65
LogP ≤ 53.20
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]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78768741
3-[(2-chlorophenyl)methyl-methylamino]-4,4,4-trifluorobutanoic acid
CID 63074913
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
(2S)-2-amino-N-[(2-chlorophenyl)methyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119682671
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
2,2,3,3-tetrafluoro-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 103733157
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide (CID 103732007) is N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide is CN(Cc1ccccc1Cl)C(=O)C(F)(F)C(F)F.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
The InChIKey is HBNRBYPGRXMJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO/c1-17(10(18)11(15,16)9(13)14)6-7-4-2-3-5-8(7)12/h2-5,9H,6H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide?
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide has a molecular weight of 283.65 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide is sourced from PubChem (CID 103732007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).