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

C20H21Cl2NO2 — CID 86716327

IUPAC2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)C1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO2/c21-16-7-5-14(6-8-16)18(15-9-11-25-12-10-15)13-23-20(24)17-3-1-2-4-19(17)22/h1-8,15,18H,9-13H2,(H,23,24)
InChIKeyMGXMCTQUCJYKBA-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.93
Rot. Bonds5

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

2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide (PubChem CID 86716327) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide
PubChem CID86716327
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide
SMILESO=C(NCC(c1ccc(Cl)cc1)C1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO2/c21-16-7-5-14(6-8-16)18(15-9-11-25-12-10-15)13-23-20(24)17-3-1-2-4-19(17)22/h1-8,15,18H,9-13H2,(H,23,24)
InChIKeyMGXMCTQUCJYKBA-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide (CID 86716327) is 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide is O=C(NCC(c1ccc(Cl)cc1)C1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide?
The InChIKey is MGXMCTQUCJYKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c21-16-7-5-14(6-8-16)18(15-9-11-25-12-10-15)13-23-20(24)17-3-1-2-4-19(17)22/h1-8,15,18H,9-13H2,(H,23,24).
What are the key properties of 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide?
2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide has a molecular weight of 378.30 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorophenyl)-2-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 86716327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).