4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide

C19H19Cl2NO2 — CID 134800662

IUPAC4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H19Cl2NO2/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)18(23)22-13-14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyUQXFTZIGOHBDFG-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.36
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide

4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide (PubChem CID 134800662) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide
PubChem CID134800662
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C19H19Cl2NO2/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)18(23)22-13-14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H,22,23)
InChIKeyUQXFTZIGOHBDFG-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide (CID 134800662) is 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide is O=C(NCc1cccc(Cl)c1)C1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide?
The InChIKey is UQXFTZIGOHBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)18(23)22-13-14-2-1-3-17(21)12-14/h1-7,12H,8-11,13H2,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide?
4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide has a molecular weight of 364.27 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 134800662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).