4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide

C20H15Cl2NO2 — CID 1002734

IUPAC4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2NO2/c21-16-9-11-17(12-10-16)25-13-14-5-7-15(8-6-14)20(24)23-19-4-2-1-3-18(19)22/h1-12H,13H2,(H,23,24)
InChIKeyXPQCBDFPXXPLJP-UHFFFAOYSA-N
MW372.25 g/mol
LogP5.82
Rot. Bonds5

About 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide

4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide (PubChem CID 1002734) has the molecular formula C20H15Cl2NO2 and a molecular weight of 372.25 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide
PubChem CID1002734
Molecular FormulaC20H15Cl2NO2
Molecular Weight372.25 g/mol
Exact Mass371.05
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2NO2/c21-16-9-11-17(12-10-16)25-13-14-5-7-15(8-6-14)20(24)23-19-4-2-1-3-18(19)22/h1-12H,13H2,(H,23,24)
InChIKeyXPQCBDFPXXPLJP-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.25
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide (CID 1002734) is 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide is O=C(Nc1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide?
The InChIKey is XPQCBDFPXXPLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO2/c21-16-9-11-17(12-10-16)25-13-14-5-7-15(8-6-14)20(24)23-19-4-2-1-3-18(19)22/h1-12H,13H2,(H,23,24).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide?
4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide has a molecular weight of 372.25 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 1002734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).