N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

C25H25ClN6O2 — CID 135599783

IUPACN-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1cccc(Cl)c1)c1ccccc1O
InChIInChI=1S/C25H25ClN6O2/c26-19-7-6-8-20(17-19)27-29-25(22-11-4-5-12-23(22)33)30-28-24(34)18-31-13-15-32(16-14-31)21-9-2-1-3-10-21/h1-12,17,33H,13-16,18H2,(H,28,34)/b29-27+,30-25-
InChIKeyBOQRIOYMCUNGPQ-MBOKJRGUSA-N
MW476.97 g/mol
LogP4.43
Rot. Bonds6

About N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide

N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 135599783) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID135599783
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC NameN-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1cccc(Cl)c1)c1ccccc1O
InChIInChI=1S/C25H25ClN6O2/c26-19-7-6-8-20(17-19)27-29-25(22-11-4-5-12-23(22)33)30-28-24(34)18-31-13-15-32(16-14-31)21-9-2-1-3-10-21/h1-12,17,33H,13-16,18H2,(H,28,34)/b29-27+,30-25-
InChIKeyBOQRIOYMCUNGPQ-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 (((2-chlorophenyl)azo)(2-hydroxyphenyl)methylene)hydrazide
CID 135599782
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-(3-chloro-4-fluoro-anilino)-N-[(E)-(2-hydroxyphenyl)methyleneamino]acetamide
CID 136400277
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-(3-chloro-4-fluorophenyl)-N'-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]oxamide
CID 3437155
N-(3-chloro-4-fluorophenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 135554234
N-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]oxamide
CID 135716149

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide (CID 135599783) is N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)N/N=C(\N=N\c1cccc(Cl)c1)c1ccccc1O.
What is the InChIKey of N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is BOQRIOYMCUNGPQ-MBOKJRGUSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c26-19-7-6-8-20(17-19)27-29-25(22-11-4-5-12-23(22)33)30-28-24(34)18-31-13-15-32(16-14-31)21-9-2-1-3-10-21/h1-12,17,33H,13-16,18H2,(H,28,34)/b29-27+,30-25-.
What are the key properties of N-[(Z)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[(Z)-[[(3-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)-[[(3-chlorophenyl)diazenyl]-(2-hydroxyphenyl)methylidene]amino]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135599783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).