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

C19H18ClN3O4 — CID 9438071

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1C#N
InChIInChI=1S/C19H18ClN3O4/c1-23(19(25)12-27-16-6-4-3-5-13(16)10-21)11-18(24)22-15-9-14(20)7-8-17(15)26-2/h3-9H,11-12H2,1-2H3,(H,22,24)
InChIKeyXWQCTNNGMZRHJF-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.70
Rot. Bonds7

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

N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide (PubChem CID 9438071) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
PubChem CID9438071
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1C#N
InChIInChI=1S/C19H18ClN3O4/c1-23(19(25)12-27-16-6-4-3-5-13(16)10-21)11-18(24)22-15-9-14(20)7-8-17(15)26-2/h3-9H,11-12H2,1-2H3,(H,22,24)
InChIKeyXWQCTNNGMZRHJF-UHFFFAOYSA-N
XLogP2.70
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-formylphenoxy)acetyl]-methylamino]acetamide
CID 9009590
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-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 60665697
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823
3-(N-acetyl-2-cyanoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113134770
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide (CID 9438071) is N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1C#N.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
The InChIKey is XWQCTNNGMZRHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-23(19(25)12-27-16-6-4-3-5-13(16)10-21)11-18(24)22-15-9-14(20)7-8-17(15)26-2/h3-9H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2-cyanophenoxy)acetyl]-methylamino]acetamide has a molecular weight of 387.82 g/mol, XLogP of 2.70, 7 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-cyanophenoxy)acetyl]-methylamino]acetamide is sourced from PubChem (CID 9438071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).