2-chloro-N-(2,6-dimethoxyphenyl)acetamide

C10H12ClNO3 — CID 20570575

IUPAC2-chloro-N-(2,6-dimethoxyphenyl)acetamide
SMILESCOc1cccc(OC)c1NC(=O)CCl
InChIInChI=1S/C10H12ClNO3/c1-14-7-4-3-5-8(15-2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyRQDBCBGKNXBXQW-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.88
Rot. Bonds4

About 2-chloro-N-(2,6-dimethoxyphenyl)acetamide

2-chloro-N-(2,6-dimethoxyphenyl)acetamide (PubChem CID 20570575) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethoxyphenyl)acetamide
PubChem CID20570575
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-chloro-N-(2,6-dimethoxyphenyl)acetamide
SMILESCOc1cccc(OC)c1NC(=O)CCl
InChIInChI=1S/C10H12ClNO3/c1-14-7-4-3-5-8(15-2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyRQDBCBGKNXBXQW-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098
2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide
CID 13350316
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
2-[bis(2-chloroethyl)amino]-N-(2-methoxy-6-methylphenyl)acetamide
CID 122536323
N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 1439205
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
2-chloro-N-[2-methyl-6-(2-methylpropoxy)phenyl]acetamide
CID 14279893
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethoxyphenyl)acetamide (CID 20570575) is 2-chloro-N-(2,6-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethoxyphenyl)acetamide is COc1cccc(OC)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,6-dimethoxyphenyl)acetamide?
The InChIKey is RQDBCBGKNXBXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-7-4-3-5-8(15-2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(2,6-dimethoxyphenyl)acetamide?
2-chloro-N-(2,6-dimethoxyphenyl)acetamide has a molecular weight of 229.66 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethoxyphenyl)acetamide is sourced from PubChem (CID 20570575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).