4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide

C23H20N4O3 — CID 135921976

IUPAC4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(/N=N/c3c(O)[nH]c4ccccc34)cc2)c1
InChIInChI=1S/C23H20N4O3/c1-30-18-6-4-5-15(13-18)14-24-22(28)16-9-11-17(12-10-16)26-27-21-19-7-2-3-8-20(19)25-23(21)29/h2-13,25,29H,14H2,1H3,(H,24,28)/b27-26+
InChIKeyMEZHSHLSHGKBHN-CYYJNZCTSA-N
MW400.44 g/mol
LogP5.23
Rot. Bonds6

About 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide

4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 135921976) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID135921976
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(/N=N/c3c(O)[nH]c4ccccc34)cc2)c1
InChIInChI=1S/C23H20N4O3/c1-30-18-6-4-5-15(13-18)14-24-22(28)16-9-11-17(12-10-16)26-27-21-19-7-2-3-8-20(19)25-23(21)29/h2-13,25,29H,14H2,1H3,(H,24,28)/b27-26+
InChIKeyMEZHSHLSHGKBHN-CYYJNZCTSA-N
XLogP5.23
TPSA99.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-formyl-N-[(3-methoxyphenyl)methyl]benzamide
CID 155923762
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 71690167
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 175415710
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[(3-methoxyphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762651

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 135921976) is 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(/N=N/c3c(O)[nH]c4ccccc34)cc2)c1.
What is the InChIKey of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is MEZHSHLSHGKBHN-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-18-6-4-5-15(13-18)14-24-22(28)16-9-11-17(12-10-16)26-27-21-19-7-2-3-8-20(19)25-23(21)29/h2-13,25,29H,14H2,1H3,(H,24,28)/b27-26+.
What are the key properties of 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide?
4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 5.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 135921976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).