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

C11H14ClNO2 — CID 2204805

IUPACN-[(2-chlorophenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-2-15-8-11(14)13-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyGGTAOLFORURTGS-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.99
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide (PubChem CID 2204805) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-ethoxyacetamide
PubChem CID2204805
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[(2-chlorophenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-2-15-8-11(14)13-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyGGTAOLFORURTGS-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.99
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-ethoxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide (CID 2204805) is N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide?
The InChIKey is GGTAOLFORURTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-15-8-11(14)13-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide?
N-[(2-chlorophenyl)methyl]-2-ethoxyacetamide has a molecular weight of 227.69 g/mol, XLogP of 1.99, 5 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-ethoxyacetamide is sourced from PubChem (CID 2204805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).