2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide

C10H11Cl2NO2 — CID 166406350

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
SMILESCON(Cc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C10H11Cl2NO2/c1-15-13(10(14)6-11)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyDJRHXRQGQGOVGL-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide

2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide (PubChem CID 166406350) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
PubChem CID166406350
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide
SMILESCON(Cc1ccc(Cl)cc1)C(=O)CCl
InChIInChI=1S/C10H11Cl2NO2/c1-15-13(10(14)6-11)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyDJRHXRQGQGOVGL-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-chloroacetyl)-[(4-chlorophenyl)methyl]amino]-2-(4-chlorophenyl)acetate
CID 146425630
[bis[(4-chlorophenyl)methyl]amino] 2-chloroacetate
CID 2776863
2-chloro-N-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 166424223
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
4-[(3-chloro-4-fluorophenyl)methyl-methoxyamino]-2,4-dioxobutanoic acid
CID 90817927
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-[(4-chlorophenyl)methylsulfanyl]-N-methoxy-N-methylacetamide
CID 55027594
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
2-chloro-N-(4-chlorophenyl)-N-methylacetamide
CID 12603569
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide (CID 166406350) is 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide is CON(Cc1ccc(Cl)cc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
The InChIKey is DJRHXRQGQGOVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-15-13(10(14)6-11)7-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide has a molecular weight of 248.11 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-N-methoxyacetamide is sourced from PubChem (CID 166406350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).