N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide

C10H9Cl2F2NO — CID 130362238

IUPACN-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide
SMILESCc1ccc(Cl)c(N(C)C(=O)C(F)F)c1Cl
InChIInChI=1S/C10H9Cl2F2NO/c1-5-3-4-6(11)8(7(5)12)15(2)10(16)9(13)14/h3-4,9H,1-2H3
InChIKeyLMRQZULLMRWBRJ-UHFFFAOYSA-N
MW268.09 g/mol
LogP3.53
Rot. Bonds2

About N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide

N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide (PubChem CID 130362238) has the molecular formula C10H9Cl2F2NO and a molecular weight of 268.09 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide
PubChem CID130362238
Molecular FormulaC10H9Cl2F2NO
Molecular Weight268.09 g/mol
Exact Mass267.00
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide
SMILESCc1ccc(Cl)c(N(C)C(=O)C(F)F)c1Cl
InChIInChI=1S/C10H9Cl2F2NO/c1-5-3-4-6(11)8(7(5)12)15(2)10(16)9(13)14/h3-4,9H,1-2H3
InChIKeyLMRQZULLMRWBRJ-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide (CID 130362238) is N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide is Cc1ccc(Cl)c(N(C)C(=O)C(F)F)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide?
The InChIKey is LMRQZULLMRWBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F2NO/c1-5-3-4-6(11)8(7(5)12)15(2)10(16)9(13)14/h3-4,9H,1-2H3.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide?
N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide has a molecular weight of 268.09 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 130362238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).