N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide

C19H19ClN2O5 — CID 9009590

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1C=O
InChIInChI=1S/C19H19ClN2O5/c1-22(19(25)12-27-16-6-4-3-5-13(16)11-23)10-18(24)21-15-9-14(20)7-8-17(15)26-2/h3-9,11H,10,12H2,1-2H3,(H,21,24)
InChIKeyCPHNPCVJQLWEFR-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.64
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide (PubChem CID 9009590) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide
PubChem CID9009590
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1C=O
InChIInChI=1S/C19H19ClN2O5/c1-22(19(25)12-27-16-6-4-3-5-13(16)11-23)10-18(24)21-15-9-14(20)7-8-17(15)26-2/h3-9,11H,10,12H2,1-2H3,(H,21,24)
InChIKeyCPHNPCVJQLWEFR-UHFFFAOYSA-N
XLogP2.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-ethoxyphenoxy)acetyl]-methylamino]acetamide
CID 8501332
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
CID 9438071
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 8501233
[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 9014966
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 34597943
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 9438210
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(cyclooctylamino)-N-methylacetamide
CID 8558739

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide (CID 9009590) is N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1C=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide?
The InChIKey is CPHNPCVJQLWEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-22(19(25)12-27-16-6-4-3-5-13(16)11-23)10-18(24)21-15-9-14(20)7-8-17(15)26-2/h3-9,11H,10,12H2,1-2H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide has a molecular weight of 390.82 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-formylphenoxy)acetyl]-methylamino]acetamide is sourced from PubChem (CID 9009590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).