N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide

C22H24ClFN4O5 — CID 55842315

IUPACN'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1OC
InChIInChI=1S/C22H24ClFN4O5/c1-32-18-6-3-14(11-19(18)33-2)21(30)26-25-20(29)13-27-7-9-28(10-8-27)22(31)16-12-15(23)4-5-17(16)24/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKQTNNDIVFOLMQA-UHFFFAOYSA-N
MW478.91 g/mol
LogP1.72
Rot. Bonds6

About N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide

N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide (PubChem CID 55842315) has the molecular formula C22H24ClFN4O5 and a molecular weight of 478.91 g/mol. Its IUPAC name is N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide
PubChem CID55842315
Molecular FormulaC22H24ClFN4O5
Molecular Weight478.91 g/mol
Exact Mass478.14
IUPAC NameN'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1OC
InChIInChI=1S/C22H24ClFN4O5/c1-32-18-6-3-14(11-19(18)33-2)21(30)26-25-20(29)13-27-7-9-28(10-8-27)22(31)16-12-15(23)4-5-17(16)24/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKQTNNDIVFOLMQA-UHFFFAOYSA-N
XLogP1.72
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.91
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 60588635
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 55739673
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 51231932
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55726971
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
N-tert-butyl-2-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]acetamide
CID 47017216
[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 34477784
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55622870

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide (CID 55842315) is N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CN2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1OC.
What is the InChIKey of N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is KQTNNDIVFOLMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O5/c1-32-18-6-3-14(11-19(18)33-2)21(30)26-25-20(29)13-27-7-9-28(10-8-27)22(31)16-12-15(23)4-5-17(16)24/h3-6,11-12H,7-10,13H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide?
N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 478.91 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]acetyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 55842315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).