N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide

C21H14Cl2N2O2 — CID 1310660

IUPACN-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-17-8-9-20(18(23)11-17)27-13-14-4-3-6-15(10-14)21(26)25-19-7-2-1-5-16(19)12-24/h1-11H,13H2,(H,25,26)
InChIKeyQBOLASORVWGADA-UHFFFAOYSA-N
MW397.26 g/mol
LogP5.70
Rot. Bonds5

About N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide

N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide (PubChem CID 1310660) has the molecular formula C21H14Cl2N2O2 and a molecular weight of 397.26 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide
PubChem CID1310660
Molecular FormulaC21H14Cl2N2O2
Molecular Weight397.26 g/mol
Exact Mass396.04
IUPAC NameN-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide
SMILESN#Cc1ccccc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H14Cl2N2O2/c22-17-8-9-20(18(23)11-17)27-13-14-4-3-6-15(10-14)21(26)25-19-7-2-1-5-16(19)12-24/h1-11H,13H2,(H,25,26)
InChIKeyQBOLASORVWGADA-UHFFFAOYSA-N
XLogP5.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide?
The IUPAC name of N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide (CID 1310660) is N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide is N#Cc1ccccc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide?
The InChIKey is QBOLASORVWGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2/c22-17-8-9-20(18(23)11-17)27-13-14-4-3-6-15(10-14)21(26)25-19-7-2-1-5-16(19)12-24/h1-11H,13H2,(H,25,26).
What are the key properties of N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide?
N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide has a molecular weight of 397.26 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[(2,4-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 1310660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).