N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide

C21H23ClN4O3 — CID 26596996

IUPACN'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H23ClN4O3/c1-15(27)16-6-8-17(9-7-16)26-12-10-25(11-13-26)14-20(28)23-24-21(29)18-4-2-3-5-19(18)22/h2-9H,10-14H2,1H3,(H,23,28)(H,24,29)
InChIKeyLOPJZJZQDGAYBR-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.13
Rot. Bonds5

About N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide

N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide (PubChem CID 26596996) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide
PubChem CID26596996
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H23ClN4O3/c1-15(27)16-6-8-17(9-7-16)26-12-10-25(11-13-26)14-20(28)23-24-21(29)18-4-2-3-5-19(18)22/h2-9H,10-14H2,1H3,(H,23,28)(H,24,29)
InChIKeyLOPJZJZQDGAYBR-UHFFFAOYSA-N
XLogP2.13
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
CID 55842735
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
1-[4-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1376472
4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55498911
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 2682322
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 8591691
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2656218
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30993776
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide (CID 26596996) is N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide is CC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide?
The InChIKey is LOPJZJZQDGAYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-15(27)16-6-8-17(9-7-16)26-12-10-25(11-13-26)14-20(28)23-24-21(29)18-4-2-3-5-19(18)22/h2-9H,10-14H2,1H3,(H,23,28)(H,24,29).
What are the key properties of N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide?
N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide has a molecular weight of 414.89 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 26596996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).