2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide

C11H13ClF2N2O2 — CID 78817603

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

About 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide

2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide (PubChem CID 78817603) has the molecular formula C11H13ClF2N2O2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide
PubChem CID78817603
Molecular FormulaC11H13ClF2N2O2
Molecular Weight278.69 g/mol
Exact Mass278.06
IUPAC Name2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C11H13ClF2N2O2/c1-16(2)10(17)6-15-7-3-4-9(8(12)5-7)18-11(13)14/h3-5,11,15H,6H2,1-2H3
InChIKeyOJRRJFAUYQBYLO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide (CID 78817603) is 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
The InChIKey is OJRRJFAUYQBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2N2O2/c1-16(2)10(17)6-15-7-3-4-9(8(12)5-7)18-11(13)14/h3-5,11,15H,6H2,1-2H3.
What are the key properties of 2-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide?
2-[3-chloro-4-(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-[3-chloro-4-(difluoromethoxy)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 78817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).