2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide

C20H23ClN2O2 — CID 86716257

IUPAC2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide
SMILESCc1ccc(Cl)c(C(=O)NCC2(c3ccc(C)nc3)CCOCC2)c1
InChIInChI=1S/C20H23ClN2O2/c1-14-3-6-18(21)17(11-14)19(24)23-13-20(7-9-25-10-8-20)16-5-4-15(2)22-12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24)
InChIKeyAULWKBUDPZVQJH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.83
Rot. Bonds4

About 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide

2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide (PubChem CID 86716257) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide
PubChem CID86716257
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide
SMILESCc1ccc(Cl)c(C(=O)NCC2(c3ccc(C)nc3)CCOCC2)c1
InChIInChI=1S/C20H23ClN2O2/c1-14-3-6-18(21)17(11-14)19(24)23-13-20(7-9-25-10-8-20)16-5-4-15(2)22-12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24)
InChIKeyAULWKBUDPZVQJH-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide (CID 86716257) is 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide is Cc1ccc(Cl)c(C(=O)NCC2(c3ccc(C)nc3)CCOCC2)c1.
What is the InChIKey of 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide?
The InChIKey is AULWKBUDPZVQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-3-6-18(21)17(11-14)19(24)23-13-20(7-9-25-10-8-20)16-5-4-15(2)22-12-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24).
What are the key properties of 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide?
2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-N-[[4-(6-methyl-3-pyridinyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 86716257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).