3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide

C24H24ClN3O2 — CID 55395088

IUPAC3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClN3O2/c25-21-9-4-7-19(15-21)24(30)26-16-23(29)28-13-11-27(12-14-28)17-20-8-3-6-18-5-1-2-10-22(18)20/h1-10,15H,11-14,16-17H2,(H,26,30)
InChIKeyPBFDBJYJMSHWSK-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.57
Rot. Bonds5

About 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide

3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 55395088) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID55395088
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1cccc(Cl)c1
InChIInChI=1S/C24H24ClN3O2/c25-21-9-4-7-19(15-21)24(30)26-16-23(29)28-13-11-27(12-14-28)17-20-8-3-6-18-5-1-2-10-22(18)20/h1-10,15H,11-14,16-17H2,(H,26,30)
InChIKeyPBFDBJYJMSHWSK-UHFFFAOYSA-N
XLogP3.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 55395088) is 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is PBFDBJYJMSHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-21-9-4-7-19(15-21)24(30)26-16-23(29)28-13-11-27(12-14-28)17-20-8-3-6-18-5-1-2-10-22(18)20/h1-10,15H,11-14,16-17H2,(H,26,30).
What are the key properties of 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide?
3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 421.93 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55395088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).