N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide

C11H12ClNO3 — CID 115166223

IUPACN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
SMILESCOc1cc(C)c(CNC(=O)C=O)cc1Cl
InChIInChI=1S/C11H12ClNO3/c1-7-3-10(16-2)9(12)4-8(7)5-13-11(15)6-14/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyFQYRHMGDSBXVMB-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.47
Rot. Bonds4

About N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide

N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide (PubChem CID 115166223) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
PubChem CID115166223
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC NameN-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
SMILESCOc1cc(C)c(CNC(=O)C=O)cc1Cl
InChIInChI=1S/C11H12ClNO3/c1-7-3-10(16-2)9(12)4-8(7)5-13-11(15)6-14/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyFQYRHMGDSBXVMB-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(cyanomethyl)acetamide
CID 82481590
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
N-[(2,3-dichloro-4-methoxyphenyl)methyl]-2-oxoacetamide
CID 115166291
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
2-(5-chloro-4-methoxy-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 110768709
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetic acid
CID 82483229
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
2-[(5-chloro-4-methoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 115259987

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide?
The IUPAC name of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide (CID 115166223) is N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide is COc1cc(C)c(CNC(=O)C=O)cc1Cl.
What is the InChIKey of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide?
The InChIKey is FQYRHMGDSBXVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-7-3-10(16-2)9(12)4-8(7)5-13-11(15)6-14/h3-4,6H,5H2,1-2H3,(H,13,15).
What are the key properties of N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide?
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide has a molecular weight of 241.67 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 115166223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).