N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

C25H25ClN6O2 — CID 135599782

IUPACN-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1ccccc1Cl)c1ccccc1O
InChIInChI=1S/C25H25ClN6O2/c26-21-11-5-6-12-22(21)27-29-25(20-10-4-7-13-23(20)33)30-28-24(34)18-31-14-16-32(17-15-31)19-8-2-1-3-9-19/h1-13,33H,14-18H2,(H,28,34)/b29-27+,30-25-
InChIKeyOQHRRNSRQVXPBJ-MBOKJRGUSA-N
MW476.97 g/mol
LogP4.43
Rot. Bonds6

About N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 135599782) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID135599782
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC NameN-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1ccccc1Cl)c1ccccc1O
InChIInChI=1S/C25H25ClN6O2/c26-21-11-5-6-12-22(21)27-29-25(20-10-4-7-13-23(20)33)30-28-24(34)18-31-14-16-32(17-15-31)19-8-2-1-3-9-19/h1-13,33H,14-18H2,(H,28,34)/b29-27+,30-25-
InChIKeyOQHRRNSRQVXPBJ-MBOKJRGUSA-N
XLogP4.43
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2H-Tetrazolium, 3-(4-chlorophenyl)-5-(2-hydroxyphenyl)-2-((4-phenyl-1-piperazinyl)acetyl)-, chloride
CID 3080230
1-Piperazineacetic acid, 4-phenyl-, (((2-chloro-4-nitrophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599781
4-Phenyl-1-piperazineacetic acid (((3-chlorophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599783
4-Phenyl-1-piperazineacetic acid (((4-chlorophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599784
4-Phenyl-1-piperazineacetic acid ((2-hydroxyphenyl)(phenylazo)methylene)hydrazide
CID 135853840
4-Phenyl-1-piperazineacetic acid ((2-hydroxyphenyl)(2-methylphenylazo)methylene)hydrazide
CID 135853841
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136224902
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 135419709
1-[3-(4-Chlorophenyl)-5-(2-hydroxyphenyl)tetrazol-3-ium-2-yl]-2-(4-phenylpiperazin-1-yl)ethanone
CID 3080231
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-2-[4-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 136245499
N'-[(E)-(5-Chloro-2-hydroxyphenyl)methylidene]-2-[(4-methylphenyl)amino]acetohydrazide
CID 135419692
N'-(5-chloro-2-hydroxybenzylidene)-2-(2-toluidino)acetohydrazide
CID 135419774

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (CID 135599782) is N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1ccccc1Cl)c1ccccc1O.
What is the InChIKey of N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is OQHRRNSRQVXPBJ-MBOKJRGUSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c26-21-11-5-6-12-22(21)27-29-25(20-10-4-7-13-23(20)33)30-28-24(34)18-31-14-16-32(17-15-31)19-8-2-1-3-9-19/h1-13,33H,14-18H2,(H,28,34)/b29-27+,30-25-.
What are the key properties of N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 476.97 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[[(2-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135599782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).