N-[(3-chlorophenyl)methyl]-2-methoxyacetamide

C10H12ClNO2 — CID 60636717

IUPACN-[(3-chlorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-7-10(13)12-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJEAPAJOWTGCATP-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.60
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-methoxyacetamide

N-[(3-chlorophenyl)methyl]-2-methoxyacetamide (PubChem CID 60636717) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methoxyacetamide
PubChem CID60636717
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-7-10(13)12-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJEAPAJOWTGCATP-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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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]acetic acid
CID 60708141
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] benzoate
CID 7514858
4-O-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851537
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-methoxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 32567500
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 7486670

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methoxyacetamide (CID 60636717) is N-[(3-chlorophenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methoxyacetamide?
The InChIKey is JEAPAJOWTGCATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-7-10(13)12-6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methoxyacetamide?
N-[(3-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-[(3-chlorophenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 60636717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).