2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide

C23H26Cl2N2O — CID 59347911

IUPAC2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)C1(N2CCCC2)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H26Cl2N2O/c24-18-11-8-12-19(25)20(18)22(28)26-21(17-9-2-1-3-10-17)23(13-4-5-14-23)27-15-6-7-16-27/h1-3,8-12,21H,4-7,13-16H2,(H,26,28)
InChIKeyBXNWJSHQOYTWRZ-UHFFFAOYSA-N
MW417.38 g/mol
LogP5.87
Rot. Bonds5

About 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide

2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide (PubChem CID 59347911) has the molecular formula C23H26Cl2N2O and a molecular weight of 417.38 g/mol. Its IUPAC name is 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
PubChem CID59347911
Molecular FormulaC23H26Cl2N2O
Molecular Weight417.38 g/mol
Exact Mass416.14
IUPAC Name2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)C1(N2CCCC2)CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H26Cl2N2O/c24-18-11-8-12-19(25)20(18)22(28)26-21(17-9-2-1-3-10-17)23(13-4-5-14-23)27-15-6-7-16-27/h1-3,8-12,21H,4-7,13-16H2,(H,26,28)
InChIKeyBXNWJSHQOYTWRZ-UHFFFAOYSA-N
XLogP5.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.38
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide (CID 59347911) is 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide is O=C(NC(c1ccccc1)C1(N2CCCC2)CCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide?
The InChIKey is BXNWJSHQOYTWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O/c24-18-11-8-12-19(25)20(18)22(28)26-21(17-9-2-1-3-10-17)23(13-4-5-14-23)27-15-6-7-16-27/h1-3,8-12,21H,4-7,13-16H2,(H,26,28).
What are the key properties of 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide?
2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide has a molecular weight of 417.38 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[phenyl-(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 59347911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).