N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide

C19H17N3O2 — CID 136690135

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H17N3O2/c1-14(15-6-10-18(23)11-7-15)20-21-19(24)16-4-8-17(9-5-16)22-12-2-3-13-22/h2-13,23H,1H3,(H,21,24)/b20-14-
InChIKeyIPZYMXVYYKPWTQ-ZHZULCJRSA-N
MW319.36 g/mol
LogP3.34
Rot. Bonds4

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide (PubChem CID 136690135) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
PubChem CID136690135
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(O)cc1
InChIInChI=1S/C19H17N3O2/c1-14(15-6-10-18(23)11-7-15)20-21-19(24)16-4-8-17(9-5-16)22-12-2-3-13-22/h2-13,23H,1H3,(H,21,24)/b20-14-
InChIKeyIPZYMXVYYKPWTQ-ZHZULCJRSA-N
XLogP3.34
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
[4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate
CID 19659089
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 4590770
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-hydroxybenzamide
CID 4051552
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide (CID 136690135) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide is C/C(=N/NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
The InChIKey is IPZYMXVYYKPWTQ-ZHZULCJRSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14(15-6-10-18(23)11-7-15)20-21-19(24)16-4-8-17(9-5-16)22-12-2-3-13-22/h2-13,23H,1H3,(H,21,24)/b20-14-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 136690135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).