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

C10H12ClNO2 — CID 885765

IUPACN-[(2-chlorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-14-7-10(13)12-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyWXDMQJXQBZBMDJ-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.60
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-2-methoxyacetamide (PubChem CID 885765) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methoxyacetamide
PubChem CID885765
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO2/c1-14-7-10(13)12-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyWXDMQJXQBZBMDJ-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxyacetamide (CID 885765) is N-[(2-chlorophenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methoxyacetamide?
The InChIKey is WXDMQJXQBZBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-7-10(13)12-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methoxyacetamide?
N-[(2-chlorophenyl)methyl]-2-methoxyacetamide has a molecular weight of 213.66 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 885765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).