N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide

C19H20ClN3O2 — CID 2889974

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)22-10-12-23(13-11-22)16-8-6-15(7-9-16)21-19(25)17-4-2-3-5-18(17)20/h2-9H,10-13H2,1H3,(H,21,25)
InChIKeyHBXZDLLOJPMLAH-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.26
Rot. Bonds3

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide (PubChem CID 2889974) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide
PubChem CID2889974
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
InChIInChI=1S/C19H20ClN3O2/c1-14(24)22-10-12-23(13-11-22)16-8-6-15(7-9-16)21-19(25)17-4-2-3-5-18(17)20/h2-9H,10-13H2,1H3,(H,21,25)
InChIKeyHBXZDLLOJPMLAH-UHFFFAOYSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide (CID 2889974) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide is CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
The InChIKey is HBXZDLLOJPMLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-14(24)22-10-12-23(13-11-22)16-8-6-15(7-9-16)21-19(25)17-4-2-3-5-18(17)20/h2-9H,10-13H2,1H3,(H,21,25).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide has a molecular weight of 357.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 2889974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).