2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide

C10H10ClNO3 — CID 13350316

IUPAC2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide
SMILESCOc1cccc(C=O)c1NC(=O)CCl
InChIInChI=1S/C10H10ClNO3/c1-15-8-4-2-3-7(6-13)10(8)12-9(14)5-11/h2-4,6H,5H2,1H3,(H,12,14)
InChIKeyQPUIERXWLRRHCW-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.68
Rot. Bonds4

About 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide

2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide (PubChem CID 13350316) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide
PubChem CID13350316
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide
SMILESCOc1cccc(C=O)c1NC(=O)CCl
InChIInChI=1S/C10H10ClNO3/c1-15-8-4-2-3-7(6-13)10(8)12-9(14)5-11/h2-4,6H,5H2,1H3,(H,12,14)
InChIKeyQPUIERXWLRRHCW-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
methyl 2-formyl-6-methoxybenzoate
CID 12730360
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
ethane;N-(2-formyl-6-methylphenyl)propanamide;methoxyethane
CID 155692872
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide (CID 13350316) is 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide is COc1cccc(C=O)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide?
The InChIKey is QPUIERXWLRRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-15-8-4-2-3-7(6-13)10(8)12-9(14)5-11/h2-4,6H,5H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide?
2-chloro-N-(2-formyl-6-methoxyphenyl)acetamide has a molecular weight of 227.65 g/mol, XLogP of 1.68, 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-formyl-6-methoxyphenyl)acetamide is sourced from PubChem (CID 13350316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).