2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide

C22H20Cl2N2O2 — CID 56679127

IUPAC2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide
SMILESCC(O)c1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1
InChIInChI=1S/C22H20Cl2N2O2/c1-14(27)17-7-9-21(26-13-17)16-6-8-20(24)18(12-16)22(28)25-11-10-15-4-2-3-5-19(15)23/h2-9,12-14,27H,10-11H2,1H3,(H,25,28)
InChIKeyVNPDSQWOHMHZND-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.08
Rot. Bonds6

About 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide

2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide (PubChem CID 56679127) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide
PubChem CID56679127
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide
SMILESCC(O)c1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1
InChIInChI=1S/C22H20Cl2N2O2/c1-14(27)17-7-9-21(26-13-17)16-6-8-20(24)18(12-16)22(28)25-11-10-15-4-2-3-5-19(15)23/h2-9,12-14,27H,10-11H2,1H3,(H,25,28)
InChIKeyVNPDSQWOHMHZND-UHFFFAOYSA-N
XLogP5.08
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide (CID 56679127) is 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide is CC(O)c1ccc(-c2ccc(Cl)c(C(=O)NCCc3ccccc3Cl)c2)nc1.
What is the InChIKey of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide?
The InChIKey is VNPDSQWOHMHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-14(27)17-7-9-21(26-13-17)16-6-8-20(24)18(12-16)22(28)25-11-10-15-4-2-3-5-19(15)23/h2-9,12-14,27H,10-11H2,1H3,(H,25,28).
What are the key properties of 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide?
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide has a molecular weight of 415.32 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-[5-(1-hydroxyethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 56679127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).