N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide

C12H15ClN2O3 — CID 13465084

IUPACN-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1NC(C)=O
InChIInChI=1S/C12H15ClN2O3/c1-8(16)15-10-5-9(3-4-11(10)18-2)7-14-12(17)6-13/h3-5H,6-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySCAMOLXUOQNMEX-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.51
Rot. Bonds5

About N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide

N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide (PubChem CID 13465084) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
PubChem CID13465084
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1NC(C)=O
InChIInChI=1S/C12H15ClN2O3/c1-8(16)15-10-5-9(3-4-11(10)18-2)7-14-12(17)6-13/h3-5H,6-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeySCAMOLXUOQNMEX-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
tert-butyl N-[5-[[(2-chloroacetyl)amino]methyl]-2-methoxyphenyl]carbamate
CID 166419727
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110783955
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
2-chloro-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide
CID 17385923
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
N-[5-[[[N-[(4-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111231056
N-[5-[[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide
CID 111358174
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-[5-[[[N-[2-(4-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111228840
3-acetamido-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 110764229

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide?
The IUPAC name of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide (CID 13465084) is N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide.
What is the SMILES notation for N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide?
The canonical SMILES for N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide is COc1ccc(CNC(=O)CCl)cc1NC(C)=O.
What is the InChIKey of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide?
The InChIKey is SCAMOLXUOQNMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(16)15-10-5-9(3-4-11(10)18-2)7-14-12(17)6-13/h3-5H,6-7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide?
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide has a molecular weight of 270.72 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide is sourced from PubChem (CID 13465084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).