2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide

C11H13Cl2NO — CID 106818458

IUPAC2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
SMILESCCNC(=O)C(Cl)c1ccc(C)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-3-14-11(15)10(13)8-5-4-7(2)9(12)6-8/h4-6,10H,3H2,1-2H3,(H,14,15)
InChIKeyFDZCRXXOCGJOLM-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide

2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide (PubChem CID 106818458) 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-ethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
PubChem CID106818458
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
SMILESCCNC(=O)C(Cl)c1ccc(C)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-3-14-11(15)10(13)8-5-4-7(2)9(12)6-8/h4-6,10H,3H2,1-2H3,(H,14,15)
InChIKeyFDZCRXXOCGJOLM-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.06
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-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
CID 106818464
2-(3-chloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 106817617
2-chloro-2-(3,5-dimethylphenyl)-N-propylacetamide
CID 62224768
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
2-chloro-N-ethyl-2-(2-methylphenyl)acetamide
CID 62225126
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
2-chloro-N-ethyl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 62224755
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467
methyl 2-(3-chloro-4-methylphenyl)hexanoate
CID 107560881
2-(3-chloro-4-methylphenyl)-2-sulfanylacetic acid
CID 172693927
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
3-(3-chloro-4-methylphenyl)-N-ethylprop-2-enamide
CID 73014365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide?
The IUPAC name of 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide (CID 106818458) is 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide is CCNC(=O)C(Cl)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide?
The InChIKey is FDZCRXXOCGJOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-3-14-11(15)10(13)8-5-4-7(2)9(12)6-8/h4-6,10H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide?
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide has a molecular weight of 246.14 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 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-ethylacetamide is sourced from PubChem (CID 106818458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).