4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide

C22H28ClN3O — CID 18425385

IUPAC4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCC1CN(c2ccccc2CCNC(=O)c2ccc(Cl)cc2)CC(C)N1C
InChIInChI=1S/C22H28ClN3O/c1-16-14-26(15-17(2)25(16)3)21-7-5-4-6-18(21)12-13-24-22(27)19-8-10-20(23)11-9-19/h4-11,16-17H,12-15H2,1-3H3,(H,24,27)
InChIKeyMTNQOOKCFFHDRS-UHFFFAOYSA-N
MW385.94 g/mol
LogP3.84
Rot. Bonds5

About 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide

4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide (PubChem CID 18425385) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide
PubChem CID18425385
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide
SMILESCC1CN(c2ccccc2CCNC(=O)c2ccc(Cl)cc2)CC(C)N1C
InChIInChI=1S/C22H28ClN3O/c1-16-14-26(15-17(2)25(16)3)21-7-5-4-6-18(21)12-13-24-22(27)19-8-10-20(23)11-9-19/h4-11,16-17H,12-15H2,1-3H3,(H,24,27)
InChIKeyMTNQOOKCFFHDRS-UHFFFAOYSA-N
XLogP3.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide (CID 18425385) is 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide is CC1CN(c2ccccc2CCNC(=O)c2ccc(Cl)cc2)CC(C)N1C.
What is the InChIKey of 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide?
The InChIKey is MTNQOOKCFFHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-16-14-26(15-17(2)25(16)3)21-7-5-4-6-18(21)12-13-24-22(27)19-8-10-20(23)11-9-19/h4-11,16-17H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide?
4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide has a molecular weight of 385.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 18425385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).