N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide

C11H14ClNO2 — CID 51072609

IUPACN-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-13(11(14)8-15-2)7-9-4-3-5-10(12)6-9/h3-6H,7-8H2,1-2H3
InChIKeyQJCVFYZMGQQRLM-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.94
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide

N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide (PubChem CID 51072609) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
PubChem CID51072609
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-13(11(14)8-15-2)7-9-4-3-5-10(12)6-9/h3-6H,7-8H2,1-2H3
InChIKeyQJCVFYZMGQQRLM-UHFFFAOYSA-N
XLogP1.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide (CID 51072609) is N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide?
The InChIKey is QJCVFYZMGQQRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13(11(14)8-15-2)7-9-4-3-5-10(12)6-9/h3-6H,7-8H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide?
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide has a molecular weight of 227.69 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 51072609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).