N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

C27H21ClN4O3 — CID 3444435

IUPACN-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NN=Cc1cc(/N=N/c2ccccc2Cl)ccc1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21ClN4O3/c28-23-13-7-8-14-24(23)31-30-22-15-16-25(33)19(17-22)18-29-32-26(34)27(35,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,33,35H,(H,32,34)/b29-18?,31-30+
InChIKeyGRYHYGBTPYMISL-OTIUVHBHSA-N
MW484.94 g/mol
LogP5.85
Rot. Bonds7

About N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide

N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (PubChem CID 3444435) has the molecular formula C27H21ClN4O3 and a molecular weight of 484.94 g/mol. Its IUPAC name is N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
PubChem CID3444435
Molecular FormulaC27H21ClN4O3
Molecular Weight484.94 g/mol
Exact Mass484.13
IUPAC NameN-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
SMILESO=C(NN=Cc1cc(/N=N/c2ccccc2Cl)ccc1O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21ClN4O3/c28-23-13-7-8-14-24(23)31-30-22-15-16-25(33)19(17-22)18-29-32-26(34)27(35,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,33,35H,(H,32,34)/b29-18?,31-30+
InChIKeyGRYHYGBTPYMISL-OTIUVHBHSA-N
XLogP5.85
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.94
LogP ≤ 55.85
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135578358
methyl N-[(Z)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]carbamate
CID 135783700
2-(4-bromophenyl)-N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]acetamide
CID 135579462
2-hydroxy-N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3317398
N-[(E)-[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590240
2-hydroxy-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 137084970
N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135592537
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
N-[(E)-[5-[(2,4-dichlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 155290954
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135781632
2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 136713953
2-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The IUPAC name of N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide (CID 3444435) is N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide.
What is the SMILES notation for N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The canonical SMILES for N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is O=C(NN=Cc1cc(/N=N/c2ccccc2Cl)ccc1O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
The InChIKey is GRYHYGBTPYMISL-OTIUVHBHSA-N. The full InChI is InChI=1S/C27H21ClN4O3/c28-23-13-7-8-14-24(23)31-30-22-15-16-25(33)19(17-22)18-29-32-26(34)27(35,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-18,33,35H,(H,32,34)/b29-18?,31-30+.
What are the key properties of N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide?
N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide has a molecular weight of 484.94 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide is sourced from PubChem (CID 3444435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).