5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide

C22H19Cl2N3O4 — CID 13140676

IUPAC5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H19Cl2N3O4/c1-30-20-10-19(27-21(28)13-31-16-6-4-15(23)5-7-16)18(24)9-17(20)22(29)26-12-14-3-2-8-25-11-14/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyAXZYTCWKTSFFPH-UHFFFAOYSA-N
MW460.32 g/mol
LogP4.34
Rot. Bonds8

About 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide

5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 13140676) has the molecular formula C22H19Cl2N3O4 and a molecular weight of 460.32 g/mol. Its IUPAC name is 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID13140676
Molecular FormulaC22H19Cl2N3O4
Molecular Weight460.32 g/mol
Exact Mass459.08
IUPAC Name5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C22H19Cl2N3O4/c1-30-20-10-19(27-21(28)13-31-16-6-4-15(23)5-7-16)18(24)9-17(20)22(29)26-12-14-3-2-8-25-11-14/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyAXZYTCWKTSFFPH-UHFFFAOYSA-N
XLogP4.34
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 13140676) is 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is AXZYTCWKTSFFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O4/c1-30-20-10-19(27-21(28)13-31-16-6-4-15(23)5-7-16)18(24)9-17(20)22(29)26-12-14-3-2-8-25-11-14/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide?
5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 460.32 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 13140676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).