3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide

C21H17ClN4O2 — CID 135759804

IUPAC3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1Cl
InChIInChI=1S/C21H17ClN4O2/c1-14-7-8-15(12-19(14)22)21(28)26-23-13-16-11-18(9-10-20(16)27)25-24-17-5-3-2-4-6-17/h2-13,27H,1H3,(H,26,28)/b23-13-,25-24+
InChIKeyIGZSNRFFIUKPCU-DNOSGRFASA-N
MW392.85 g/mol
LogP5.53
Rot. Bonds5

About 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide

3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide (PubChem CID 135759804) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
PubChem CID135759804
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1Cl
InChIInChI=1S/C21H17ClN4O2/c1-14-7-8-15(12-19(14)22)21(28)26-23-13-16-11-18(9-10-20(16)27)25-24-17-5-3-2-4-6-17/h2-13,27H,1H3,(H,26,28)/b23-13-,25-24+
InChIKeyIGZSNRFFIUKPCU-DNOSGRFASA-N
XLogP5.53
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.85
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]benzamide
CID 135579258
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
2-chloro-N-[(E)-[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-4-methylbenzamide
CID 135578419
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 135643956
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
methyl N-[(Z)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]carbamate
CID 135783700
3-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060693
3-chloro-4-methyl-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 126059607
3,4-dihydroxy-N-[(2-methylphenyl)methylideneamino]benzamide
CID 794492

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide?
The IUPAC name of 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide (CID 135759804) is 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1Cl.
What is the InChIKey of 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide?
The InChIKey is IGZSNRFFIUKPCU-DNOSGRFASA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14-7-8-15(12-19(14)22)21(28)26-23-13-16-11-18(9-10-20(16)27)25-24-17-5-3-2-4-6-17/h2-13,27H,1H3,(H,26,28)/b23-13-,25-24+.
What are the key properties of 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide?
3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide has a molecular weight of 392.85 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 135759804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).