N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide

C20H16ClNO2 — CID 2811913

IUPACN-[(2-chloro-6-phenoxyphenyl)methyl]benzamide
SMILESO=C(NCc1c(Cl)cccc1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-18-12-7-13-19(24-16-10-5-2-6-11-16)17(18)14-22-20(23)15-8-3-1-4-9-15/h1-13H,14H2,(H,22,23)
InChIKeyIOFXZLIJGJSJKN-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.06
Rot. Bonds5

About N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide

N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide (PubChem CID 2811913) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-phenoxyphenyl)methyl]benzamide
PubChem CID2811913
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC NameN-[(2-chloro-6-phenoxyphenyl)methyl]benzamide
SMILESO=C(NCc1c(Cl)cccc1Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-18-12-7-13-19(24-16-10-5-2-6-11-16)17(18)14-22-20(23)15-8-3-1-4-9-15/h1-13H,14H2,(H,22,23)
InChIKeyIOFXZLIJGJSJKN-UHFFFAOYSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide (CID 2811913) is N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide is O=C(NCc1c(Cl)cccc1Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide?
The InChIKey is IOFXZLIJGJSJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-18-12-7-13-19(24-16-10-5-2-6-11-16)17(18)14-22-20(23)15-8-3-1-4-9-15/h1-13H,14H2,(H,22,23).
What are the key properties of N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide?
N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide has a molecular weight of 337.81 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-phenoxyphenyl)methyl]benzamide is sourced from PubChem (CID 2811913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).