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

C10H12ClNO2 — CID 132566074

IUPACN-[(4-chlorophenyl)methyl]-N-methoxyacetamide
SMILESCON(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C10H12ClNO2/c1-8(13)12(14-2)7-9-3-5-10(11)6-4-9/h3-6H,7H2,1-2H3
InChIKeyKTADKYPYNYLNPJ-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.25
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-N-methoxyacetamide (PubChem CID 132566074) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methoxyacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methoxyacetamide
PubChem CID132566074
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methoxyacetamide
SMILESCON(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C10H12ClNO2/c1-8(13)12(14-2)7-9-3-5-10(11)6-4-9/h3-6H,7H2,1-2H3
InChIKeyKTADKYPYNYLNPJ-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Clomazone
CID 54778
Bixlozone
CID 15056663
1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392334
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446658
1-(N-Acetylamino)-2-(4-chlorophenyl)-ethane
CID 9877644
N-[(4-chlorophenyl)methyl]pentanamide
CID 2169936
N-((4-Chlorophenyl)methyl)acetamide
CID 42116
N-(4-Chlorobenzyl)hexanamide
CID 4092607
4-Chloro-N-methoxy-N-methylbenzamide
CID 11275663
N1-(4-chlorobenzyl)-N3-hydroxy-2-isobutylmalonamide
CID 16116577

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methoxyacetamide (CID 132566074) is N-[(4-chlorophenyl)methyl]-N-methoxyacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methoxyacetamide is CON(Cc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
The InChIKey is KTADKYPYNYLNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-8(13)12(14-2)7-9-3-5-10(11)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methoxyacetamide?
N-[(4-chlorophenyl)methyl]-N-methoxyacetamide has a molecular weight of 213.66 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methoxyacetamide is sourced from PubChem (CID 132566074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).