N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide

C14H19ClN2O4 — CID 108575225

IUPACN-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCNC(=O)CCl)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-20-11-4-3-10(7-12(11)21-2)8-13(18)16-5-6-17-14(19)9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQZIWPZHCFKYXHG-UHFFFAOYSA-N
MW314.77 g/mol
LogP0.72
Rot. Bonds8

About N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 108575225) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID108575225
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCNC(=O)CCl)cc1OC
InChIInChI=1S/C14H19ClN2O4/c1-20-11-4-3-10(7-12(11)21-2)8-13(18)16-5-6-17-14(19)9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQZIWPZHCFKYXHG-UHFFFAOYSA-N
XLogP0.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]prop-2-enamide
CID 102464836
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
phenyl N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108575202
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-chloro-N-[(3-methoxy-4-methylphenyl)methyl]acetamide
CID 166403835
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 108575225) is N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCCNC(=O)CCl)cc1OC.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QZIWPZHCFKYXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-20-11-4-3-10(7-12(11)21-2)8-13(18)16-5-6-17-14(19)9-15/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 314.77 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 108575225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).