4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide

C20H22ClN3O2 — CID 558758

IUPAC4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-2-23-11-13-24(14-12-23)20(26)17-5-3-4-6-18(17)22-19(25)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyQBTFAHLMNWSDSN-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide

4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 558758) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID558758
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCCN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-2-23-11-13-24(14-12-23)20(26)17-5-3-4-6-18(17)22-19(25)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,25)
InChIKeyQBTFAHLMNWSDSN-UHFFFAOYSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.37
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-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide (CID 558758) is 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide is CCN1CCN(C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is QBTFAHLMNWSDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-23-11-13-24(14-12-23)20(26)17-5-3-4-6-18(17)22-19(25)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide?
4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 371.87 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 558758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).