2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

C20H21ClF2N4O2 — CID 26523820

IUPAC2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C20H21ClF2N4O2/c21-16-13-18(23)17(22)12-15(16)20(29)25-24-19(28)6-7-26-8-10-27(11-9-26)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,24,28)(H,25,29)
InChIKeyBJUXQDQKOHDNCM-UHFFFAOYSA-N
MW422.86 g/mol
LogP2.59
Rot. Bonds5

About 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (PubChem CID 26523820) has the molecular formula C20H21ClF2N4O2 and a molecular weight of 422.86 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
PubChem CID26523820
Molecular FormulaC20H21ClF2N4O2
Molecular Weight422.86 g/mol
Exact Mass422.13
IUPAC Name2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C20H21ClF2N4O2/c21-16-13-18(23)17(22)12-15(16)20(29)25-24-19(28)6-7-26-8-10-27(11-9-26)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,24,28)(H,25,29)
InChIKeyBJUXQDQKOHDNCM-UHFFFAOYSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 7551003
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
2,4-dichloro-5-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33136012
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 26523702
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
N-(2,4-dichlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027205
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 39985361
3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide (CID 26523820) is 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
The InChIKey is BJUXQDQKOHDNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O2/c21-16-13-18(23)17(22)12-15(16)20(29)25-24-19(28)6-7-26-8-10-27(11-9-26)14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,24,28)(H,25,29).
What are the key properties of 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide?
2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide has a molecular weight of 422.86 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 26523820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).