2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide

C19H19Cl2NO2 — CID 27449136

IUPAC2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1Cl
InChIInChI=1S/C19H19Cl2NO2/c20-15-7-5-14(6-8-15)19(9-11-24-12-10-19)13-22-18(23)16-3-1-2-4-17(16)21/h1-8H,9-13H2,(H,22,23)
InChIKeyTTWDLUFZJSZCAH-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.47
Rot. Bonds4

About 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide

2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide (PubChem CID 27449136) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
PubChem CID27449136
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1Cl
InChIInChI=1S/C19H19Cl2NO2/c20-15-7-5-14(6-8-15)19(9-11-24-12-10-19)13-22-18(23)16-3-1-2-4-17(16)21/h1-8H,9-13H2,(H,22,23)
InChIKeyTTWDLUFZJSZCAH-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide (CID 27449136) is 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide is O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
The InChIKey is TTWDLUFZJSZCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-15-7-5-14(6-8-15)19(9-11-24-12-10-19)13-22-18(23)16-3-1-2-4-17(16)21/h1-8H,9-13H2,(H,22,23).
What are the key properties of 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide?
2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide has a molecular weight of 364.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 27449136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).