2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

C20H22ClFN4O2 — CID 7551003

IUPAC2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C20H22ClFN4O2/c21-16-7-4-8-17(22)19(16)20(28)24-23-18(27)9-10-25-11-13-26(14-12-25)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,27)(H,24,28)
InChIKeyRMKBENOQBNCEBW-UHFFFAOYSA-N
MW404.87 g/mol
LogP2.45
Rot. Bonds5

About 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (PubChem CID 7551003) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
PubChem CID7551003
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC Name2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C20H22ClFN4O2/c21-16-7-4-8-17(22)19(16)20(28)24-23-18(27)9-10-25-11-13-26(14-12-25)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,27)(H,24,28)
InChIKeyRMKBENOQBNCEBW-UHFFFAOYSA-N
XLogP2.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 26523820
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloro-6-fluorobenzamide
CID 37251039
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide
CID 26245753
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (CID 7551003) is 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The InChIKey is RMKBENOQBNCEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c21-16-7-4-8-17(22)19(16)20(28)24-23-18(27)9-10-25-11-13-26(14-12-25)15-5-2-1-3-6-15/h1-8H,9-14H2,(H,23,27)(H,24,28).
What are the key properties of 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide has a molecular weight of 404.87 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 7551003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).