2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide

C15H12ClNO3 — CID 106912648

IUPAC2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
SMILESO=Cc1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO3/c16-12-4-6-14(7-5-12)20-10-15(19)17-13-3-1-2-11(8-13)9-18/h1-9H,10H2,(H,17,19)
InChIKeyMGEXISJDCWBZDG-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide

2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide (PubChem CID 106912648) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
PubChem CID106912648
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
SMILESO=Cc1cccc(NC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H12ClNO3/c16-12-4-6-14(7-5-12)20-10-15(19)17-13-3-1-2-11(8-13)9-18/h1-9H,10H2,(H,17,19)
InChIKeyMGEXISJDCWBZDG-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
CID 17202080
2-(4-chlorophenoxy)-N-(3-iodophenyl)acetamide
CID 7738324
N-(3-chloro-4-fluorophenyl)-2-(4-formylphenoxy)acetamide
CID 2215496
N-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197376
N-(3-formylphenyl)-3-phenoxypropanamide
CID 106912466
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
3-[[2-(4-chlorophenoxy)acetyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888092
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
CID 170896491
N-(3-formylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106912441
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide (CID 106912648) is 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide is O=Cc1cccc(NC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide?
The InChIKey is MGEXISJDCWBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-12-4-6-14(7-5-12)20-10-15(19)17-13-3-1-2-11(8-13)9-18/h1-9H,10H2,(H,17,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide?
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide has a molecular weight of 289.72 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide is sourced from PubChem (CID 106912648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).