2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide

C10H10ClF2NO — CID 155580453

IUPAC2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
SMILESCC(F)(F)c1ccccc1NC(=O)CCl
InChIInChI=1S/C10H10ClF2NO/c1-10(12,13)7-4-2-3-5-8(7)14-9(15)6-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyOYEJMFOULXLJBA-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.98
Rot. Bonds3

About 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide

2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide (PubChem CID 155580453) has the molecular formula C10H10ClF2NO and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
PubChem CID155580453
Molecular FormulaC10H10ClF2NO
Molecular Weight233.65 g/mol
Exact Mass233.04
IUPAC Name2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
SMILESCC(F)(F)c1ccccc1NC(=O)CCl
InChIInChI=1S/C10H10ClF2NO/c1-10(12,13)7-4-2-3-5-8(7)14-9(15)6-11/h2-5H,6H2,1H3,(H,14,15)
InChIKeyOYEJMFOULXLJBA-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
2-[(2-chloroacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2095781
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
CID 166428369
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 108787713
2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794
N-[3-tert-butyl-4-[(2-chloroacetyl)amino]phenyl]-2-chloroacetamide
CID 18630154
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide (CID 155580453) is 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide is CC(F)(F)c1ccccc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide?
The InChIKey is OYEJMFOULXLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c1-10(12,13)7-4-2-3-5-8(7)14-9(15)6-11/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide?
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide has a molecular weight of 233.65 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide is sourced from PubChem (CID 155580453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).