2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide

C11H13Cl2NO — CID 106818464

IUPAC2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
SMILESCc1ccc(C(Cl)C(=O)N(C)C)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7-4-5-8(6-9(7)12)10(13)11(15)14(2)3/h4-6,10H,1-3H3
InChIKeyRPUIOQVEPMQHSX-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide

2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide (PubChem CID 106818464) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
PubChem CID106818464
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
SMILESCc1ccc(C(Cl)C(=O)N(C)C)cc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-7-4-5-8(6-9(7)12)10(13)11(15)14(2)3/h4-6,10H,1-3H3
InChIKeyRPUIOQVEPMQHSX-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
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,N-dimethyl-2-naphthalen-2-ylacetamide
CID 62224984
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
CID 106818458
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
2-(3-chloro-4-methylphenyl)-2-sulfanylacetic acid
CID 172693927
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
2-(3-bromo-4-methoxyphenyl)-2-chloro-N,N-dimethylacetamide
CID 62225534
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
CID 173431236
methyl 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
2-(4-chlorophenyl)-N,N,3-trimethylbutanamide
CID 60653268
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide (CID 106818464) is 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide is Cc1ccc(C(Cl)C(=O)N(C)C)cc1Cl.
What is the InChIKey of 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide?
The InChIKey is RPUIOQVEPMQHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-7-4-5-8(6-9(7)12)10(13)11(15)14(2)3/h4-6,10H,1-3H3.
What are the key properties of 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide?
2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide has a molecular weight of 246.14 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 106818464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).