2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide

C21H18Cl2N2O — CID 11749459

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1
InChIInChI=1S/C21H18Cl2N2O/c1-14-6-9-20(25-13-14)16-7-8-19(23)17(12-16)21(26)24-11-10-15-4-2-3-5-18(15)22/h2-9,12-13H,10-11H2,1H3,(H,24,26)
InChIKeyPHGSJAHVPBJEFE-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.34
Rot. Bonds5

About 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 11749459) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID11749459
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1
InChIInChI=1S/C21H18Cl2N2O/c1-14-6-9-20(25-13-14)16-7-8-19(23)17(12-16)21(26)24-11-10-15-4-2-3-5-18(15)22/h2-9,12-13H,10-11H2,1H3,(H,24,26)
InChIKeyPHGSJAHVPBJEFE-UHFFFAOYSA-N
XLogP5.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.34
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-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide (CID 11749459) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is PHGSJAHVPBJEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c1-14-6-9-20(25-13-14)16-7-8-19(23)17(12-16)21(26)24-11-10-15-4-2-3-5-18(15)22/h2-9,12-13H,10-11H2,1H3,(H,24,26).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 385.29 g/mol, XLogP of 5.34, 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-(2-chlorophenyl)ethyl]-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 11749459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).