N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide

C30H23N5O4 — CID 1083415

IUPACN-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide
SMILESO=C(Cn1c(O)c(/N=N/C(=O)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C30H23N5O4/c36-26(31-22-13-5-2-6-14-22)19-35-25-17-8-7-16-24(25)27(30(35)39)33-34-29(38)21-12-9-15-23(18-21)32-28(37)20-10-3-1-4-11-20/h1-18,39H,19H2,(H,31,36)(H,32,37)/b34-33+
InChIKeyBESYVRQZEZGPSK-JEIPZWNWSA-N
MW517.55 g/mol
LogP6.16
Rot. Bonds7

About N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide

N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide (PubChem CID 1083415) has the molecular formula C30H23N5O4 and a molecular weight of 517.55 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide
PubChem CID1083415
Molecular FormulaC30H23N5O4
Molecular Weight517.55 g/mol
Exact Mass517.18
IUPAC NameN-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide
SMILESO=C(Cn1c(O)c(/N=N/C(=O)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C30H23N5O4/c36-26(31-22-13-5-2-6-14-22)19-35-25-17-8-7-16-24(25)27(30(35)39)33-34-29(38)21-12-9-15-23(18-21)32-28(37)20-10-3-1-4-11-20/h1-18,39H,19H2,(H,31,36)(H,32,37)/b34-33+
InChIKeyBESYVRQZEZGPSK-JEIPZWNWSA-N
XLogP6.16
TPSA125.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.55
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
CID 135743701
Nintedanib carboxylic acid
CID 135461425
Bzo-poxizid
CID 2691386
Bzo-chmoxizid
CID 135881485
2(4-Benzyl-1-piperazinyl)N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
CID 1034069
4-((5-Fluoro-3-(hydroxyimino)-2-oxoindolin-1-yl)methyl)-N-hydroxybenzamide (6b)
CID 137224532
2-(3-Hydrazono-2-oxo-2,3-dihydro-indol-1-yl)-N-phenyl-acetamide
CID 678592
(E)-N'-(1-methyl-2-oxoindolin-3-ylidene)-2-(p-tolylamino)acetohydrazide
CID 773026
N-(1-Methyl-2-oxo-1,2-dihydro-indol-3-ylidene-hydrazinocarbonylmethyl)-benzamide
CID 821643
2-(3-(2-(5-bromo-2-hydroxybenzoyl)hydrazono)-2-oxoindolin-1-yl)-N-p-tolylacetamide
CID 1048811
N'-[(3Z)-1-butyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 1581054
N'-[(3E)-1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]benzohydrazide
CID 1626958

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide (CID 1083415) is N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide is O=C(Cn1c(O)c(/N=N/C(=O)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc21)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide?
The InChIKey is BESYVRQZEZGPSK-JEIPZWNWSA-N. The full InChI is InChI=1S/C30H23N5O4/c36-26(31-22-13-5-2-6-14-22)19-35-25-17-8-7-16-24(25)27(30(35)39)33-34-29(38)21-12-9-15-23(18-21)32-28(37)20-10-3-1-4-11-20/h1-18,39H,19H2,(H,31,36)(H,32,37)/b34-33+.
What are the key properties of N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide?
N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide has a molecular weight of 517.55 g/mol, XLogP of 6.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)-2-hydroxyindol-3-yl]imino-3-benzamidobenzamide is sourced from PubChem (CID 1083415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).