N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide

C22H17N3O3 — CID 4937839

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H17N3O3/c26-21(25-24-20-16-10-4-6-12-18(16)23-22(20)27)17-11-5-7-13-19(17)28-14-15-8-2-1-3-9-15/h1-13,23,27H,14H2/b25-24+
InChIKeyCDLMNOJCICGPSX-OCOZRVBESA-N
MW371.40 g/mol
LogP5.38
Rot. Bonds5

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide (PubChem CID 4937839) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide
PubChem CID4937839
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1OCc1ccccc1
InChIInChI=1S/C22H17N3O3/c26-21(25-24-20-16-10-4-6-12-18(16)23-22(20)27)17-11-5-7-13-19(17)28-14-15-8-2-1-3-9-15/h1-13,23,27H,14H2/b25-24+
InChIKeyCDLMNOJCICGPSX-OCOZRVBESA-N
XLogP5.38
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.40
LogP ≤ 55.38
H-Bond Donors ≤ 52
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

(E)-1-(2-ethoxyphenyl)-3-(1H-indol-2-yl)prop-2-en-1-one
CID 118732206
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4558707
N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-methoxybenzohydrazide
CID 135881484
N'-[(3Z)-1-Benzyl-6-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
CID 135924637
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136026058
N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]-2-(4-hydroxyphenyl)acetamide
CID 136026189
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]diazenyl]-2-hydroxy-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide
CID 136086964
3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]diazenyl]-2-hydroxy-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-6-carboxamide
CID 136086965
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)propanamide
CID 136086988
3-hydroxy-N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-naphthohydrazide
CID 598695
2-hydroxy-N-[(1-methyl-2-oxo-3-indolylidene)amino]benzamide
CID 678359
Furan-2-carboxylic acid (2-oxo-1,2-dihydro-indol-3-ylidene)-hydrazide
CID 727719

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide (CID 4937839) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide is O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide?
The InChIKey is CDLMNOJCICGPSX-OCOZRVBESA-N. The full InChI is InChI=1S/C22H17N3O3/c26-21(25-24-20-16-10-4-6-12-18(16)23-22(20)27)17-11-5-7-13-19(17)28-14-15-8-2-1-3-9-15/h1-13,23,27H,14H2/b25-24+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide has a molecular weight of 371.40 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenylmethoxybenzamide is sourced from PubChem (CID 4937839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).