N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide

C24H20N4O3 — CID 136961535

IUPACN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C24H20N4O3/c1-14-7-10-16(11-8-14)22(29)25-19-6-4-3-5-17(19)23(30)28-27-21-18-13-15(2)9-12-20(18)26-24(21)31/h3-13,26,31H,1-2H3,(H,25,29)/b28-27+
InChIKeyJAOQAQJKPLAZIX-BYYHNAKLSA-N
MW412.45 g/mol
LogP5.67
Rot. Bonds4

About N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide (PubChem CID 136961535) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
PubChem CID136961535
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1
InChIInChI=1S/C24H20N4O3/c1-14-7-10-16(11-8-14)22(29)25-19-6-4-3-5-17(19)23(30)28-27-21-18-13-15(2)9-12-20(18)26-24(21)31/h3-13,26,31H,1-2H3,(H,25,29)/b28-27+
InChIKeyJAOQAQJKPLAZIX-BYYHNAKLSA-N
XLogP5.67
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135758877
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
CID 3347736
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]cyclopropanecarboxamide
CID 3522573
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
N-[(2Z,4E)-1-[(2-hydroxy-5-methyl-1H-indol-3-yl)diazenyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 135905087
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-iodobenzamide
CID 1072227
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methylbenzamide
CID 3870793
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide (CID 136961535) is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)/N=N/c2c(O)[nH]c3ccc(C)cc23)cc1.
What is the InChIKey of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is JAOQAQJKPLAZIX-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-14-7-10-16(11-8-14)22(29)25-19-6-4-3-5-17(19)23(30)28-27-21-18-13-15(2)9-12-20(18)26-24(21)31/h3-13,26,31H,1-2H3,(H,25,29)/b28-27+.
What are the key properties of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide?
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 412.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 136961535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).