2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide

C19H20ClN5O4 — CID 55842735

IUPAC2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H20ClN5O4/c20-17-7-2-1-6-16(17)19(27)22-21-18(26)13-23-8-10-24(11-9-23)14-4-3-5-15(12-14)25(28)29/h1-7,12H,8-11,13H2,(H,21,26)(H,22,27)
InChIKeyGKSUVJKWNLSIBG-UHFFFAOYSA-N
MW417.85 g/mol
LogP1.83
Rot. Bonds5

About 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide

2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide (PubChem CID 55842735) has the molecular formula C19H20ClN5O4 and a molecular weight of 417.85 g/mol. Its IUPAC name is 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
PubChem CID55842735
Molecular FormulaC19H20ClN5O4
Molecular Weight417.85 g/mol
Exact Mass417.12
IUPAC Name2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
SMILESO=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H20ClN5O4/c20-17-7-2-1-6-16(17)19(27)22-21-18(26)13-23-8-10-24(11-9-23)14-4-3-5-15(12-14)25(28)29/h1-7,12H,8-11,13H2,(H,21,26)(H,22,27)
InChIKeyGKSUVJKWNLSIBG-UHFFFAOYSA-N
XLogP1.83
TPSA107.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-nitrophenyl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55843110
N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55841828
N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 55354434
N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide
CID 26596996
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
N'-[2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]acetyl]-3-nitrobenzohydrazide
CID 55849681
N-[2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 172594290
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590785
2-chloro-4-nitro-N-[2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 37264034
1-(3-nitrophenyl)pyrrolidine
CID 698267
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide (CID 55842735) is 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide is O=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide?
The InChIKey is GKSUVJKWNLSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O4/c20-17-7-2-1-6-16(17)19(27)22-21-18(26)13-23-8-10-24(11-9-23)14-4-3-5-15(12-14)25(28)29/h1-7,12H,8-11,13H2,(H,21,26)(H,22,27).
What are the key properties of 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide?
2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide has a molecular weight of 417.85 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 55842735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).