4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide

C20H19N3O3 — CID 50857660

IUPAC4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
SMILESCOc1ccc(-n2cc(/C=N\NC(=O)c3ccc(O)cc3)cc2C)cc1
InChIInChI=1S/C20H19N3O3/c1-14-11-15(13-23(14)17-5-9-19(26-2)10-6-17)12-21-22-20(25)16-3-7-18(24)8-4-16/h3-13,24H,1-2H3,(H,22,25)/b21-12-
InChIKeyZWZZILQKEYVYFM-MTJSOVHGSA-N
MW349.39 g/mol
LogP3.26
Rot. Bonds5

About 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide

4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide (PubChem CID 50857660) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
PubChem CID50857660
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide
SMILESCOc1ccc(-n2cc(/C=N\NC(=O)c3ccc(O)cc3)cc2C)cc1
InChIInChI=1S/C20H19N3O3/c1-14-11-15(13-23(14)17-5-9-19(26-2)10-6-17)12-21-22-20(25)16-3-7-18(24)8-4-16/h3-13,24H,1-2H3,(H,22,25)/b21-12-
InChIKeyZWZZILQKEYVYFM-MTJSOVHGSA-N
XLogP3.26
TPSA75.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-4-methylbenzamide
CID 50857637
[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]thiourea
CID 50857651
N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50857678
2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 50857638
2-(3-methoxyphenyl)-N-[(E)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]acetamide
CID 50857597
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
4-(2,5-dimethylpyrrol-1-yl)-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 4054579
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3728498
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide (CID 50857660) is 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide is COc1ccc(-n2cc(/C=N\NC(=O)c3ccc(O)cc3)cc2C)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide?
The InChIKey is ZWZZILQKEYVYFM-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-11-15(13-23(14)17-5-9-19(26-2)10-6-17)12-21-22-20(25)16-3-7-18(24)8-4-16/h3-13,24H,1-2H3,(H,22,25)/b21-12-.
What are the key properties of 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide?
4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]benzamide is sourced from PubChem (CID 50857660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).