2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide

C20H16Cl2N2O — CID 56675816

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C20H16Cl2N2O/c21-18-4-2-1-3-15(18)9-12-24-20(25)17-13-16(5-6-19(17)22)14-7-10-23-11-8-14/h1-8,10-11,13H,9,12H2,(H,24,25)
InChIKeyXSOBJKMQOOTZTK-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.03
Rot. Bonds5

About 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide (PubChem CID 56675816) has the molecular formula C20H16Cl2N2O and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide
PubChem CID56675816
Molecular FormulaC20H16Cl2N2O
Molecular Weight371.27 g/mol
Exact Mass370.06
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide
SMILESO=C(NCCc1ccccc1Cl)c1cc(-c2ccncc2)ccc1Cl
InChIInChI=1S/C20H16Cl2N2O/c21-18-4-2-1-3-15(18)9-12-24-20(25)17-13-16(5-6-19(17)22)14-7-10-23-11-8-14/h1-8,10-11,13H,9,12H2,(H,24,25)
InChIKeyXSOBJKMQOOTZTK-UHFFFAOYSA-N
XLogP5.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.03
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-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide (CID 56675816) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide is O=C(NCCc1ccccc1Cl)c1cc(-c2ccncc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide?
The InChIKey is XSOBJKMQOOTZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O/c21-18-4-2-1-3-15(18)9-12-24-20(25)17-13-16(5-6-19(17)22)14-7-10-23-11-8-14/h1-8,10-11,13H,9,12H2,(H,24,25).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-pyridin-4-ylbenzamide has a molecular weight of 371.27 g/mol, XLogP of 5.03, 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-pyridin-4-ylbenzamide is sourced from PubChem (CID 56675816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).