2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide

C11H13ClF2N2O2 — CID 86791806

IUPAC2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-16(2)10(17)6-15-8-4-3-7(12)5-9(8)18-11(13)14/h3-5,11,15H,6H2,1-2H3
InChIKeyHNQBSWXFOCLLEP-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.44
Rot. Bonds5

About 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide

2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide (PubChem CID 86791806) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
PubChem CID86791806
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C11H13ClF2N2O2/c1-16(2)10(17)6-15-8-4-3-7(12)5-9(8)18-11(13)14/h3-5,11,15H,6H2,1-2H3
InChIKeyHNQBSWXFOCLLEP-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(4-chloro-2-cyanoanilino)-N,N-dimethylacetamide
CID 62492640
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
2-[[N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-propylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111983980
2-(5-chloro-2-fluoroanilino)-N-methyl-N-propan-2-ylacetamide
CID 43385741
N,N-dimethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815758
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
4-chloro-2-(difluoromethoxy)benzoyl chloride
CID 131010858
1-[4-chloro-2-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 139947231
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N,N-dimethylacetamide
CID 43214494
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 122101473
2-[[N'-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-(oxan-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110033435

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide (CID 86791806) is 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(Cl)cc1OC(F)F.
What is the InChIKey of 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
The InChIKey is HNQBSWXFOCLLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c1-16(2)10(17)6-15-8-4-3-7(12)5-9(8)18-11(13)14/h3-5,11,15H,6H2,1-2H3.
What are the key properties of 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide has a molecular weight of 278.69 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(difluoromethoxy)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 86791806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).