2-chloro-N-[(4-methoxyphenyl)methyl]acetamide

C10H12ClNO2 — CID 2404833

IUPAC2-chloro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJXYSFUCPCITQLI-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.55
Rot. Bonds4

About 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide

2-chloro-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 2404833) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID2404833
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-chloro-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1
InChIInChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyJXYSFUCPCITQLI-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide (CID 2404833) is 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is JXYSFUCPCITQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide?
2-chloro-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 213.66 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2404833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).