4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide

C21H18ClN3O3 — CID 122189456

IUPAC4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
SMILESO=C(COc1ccc(C(=O)Nc2ccncc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-5-1-15(2-6-17)13-24-20(26)14-28-19-7-3-16(4-8-19)21(27)25-18-9-11-23-12-10-18/h1-12H,13-14H2,(H,24,26)(H,23,25,27)
InChIKeyFBILUWKJBDHEKT-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.68
Rot. Bonds7

About 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide

4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide (PubChem CID 122189456) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
PubChem CID122189456
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
SMILESO=C(COc1ccc(C(=O)Nc2ccncc2)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O3/c22-17-5-1-15(2-6-17)13-24-20(26)14-28-19-7-3-16(4-8-19)21(27)25-18-9-11-23-12-10-18/h1-12H,13-14H2,(H,24,26)(H,23,25,27)
InChIKeyFBILUWKJBDHEKT-UHFFFAOYSA-N
XLogP3.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide (CID 122189456) is 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide is O=C(COc1ccc(C(=O)Nc2ccncc2)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
The InChIKey is FBILUWKJBDHEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-17-5-1-15(2-6-17)13-24-20(26)14-28-19-7-3-16(4-8-19)21(27)25-18-9-11-23-12-10-18/h1-12H,13-14H2,(H,24,26)(H,23,25,27).
What are the key properties of 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide has a molecular weight of 395.85 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 122189456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).