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

C22H20Cl3N3O4 — CID 54583788

IUPAC5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)NCc1cccnc1.Cl
InChIInChI=1S/C22H19Cl2N3O4.ClH/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);1H
InChIKeyHYCYUKNKTMAYET-UHFFFAOYSA-N
MW496.78 g/mol
LogP4.77
Rot. Bonds8

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

5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 54583788) has the molecular formula C22H20Cl3N3O4 and a molecular weight of 496.78 g/mol. Its IUPAC name is 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride
PubChem CID54583788
Molecular FormulaC22H20Cl3N3O4
Molecular Weight496.78 g/mol
Exact Mass495.05
IUPAC Name5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)NCc1cccnc1.Cl
InChIInChI=1S/C22H19Cl2N3O4.ClH/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);1H
InChIKeyHYCYUKNKTMAYET-UHFFFAOYSA-N
XLogP4.77
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.78
LogP ≤ 54.77
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;hydrochloride?
The IUPAC name of 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride (CID 54583788) is 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride is COc1cc(NC(=O)COc2ccc(Cl)cc2)c(Cl)cc1C(=O)NCc1cccnc1.Cl.
What is the InChIKey of 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is HYCYUKNKTMAYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O4.ClH/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);1H.
What are the key properties of 5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride?
5-chloro-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxy-N-(pyridin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 496.78 g/mol, XLogP of 4.77, 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;hydrochloride is sourced from PubChem (CID 54583788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).