N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide

C19H17N3O3 — CID 17126850

IUPACN-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
SMILESC/C(=N\NC(=O)c1ccccc1-n1cccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H17N3O3/c1-13(14-10-15(23)12-16(24)11-14)20-21-19(25)17-6-2-3-7-18(17)22-8-4-5-9-22/h2-12,23-24H,1H3,(H,21,25)/b20-13+
InChIKeyNZULLPKPOKNHOZ-DEDYPNTBSA-N
MW335.36 g/mol
LogP3.04
Rot. Bonds4

About N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide

N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 17126850) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID17126850
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
SMILESC/C(=N\NC(=O)c1ccccc1-n1cccc1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H17N3O3/c1-13(14-10-15(23)12-16(24)11-14)20-21-19(25)17-6-2-3-7-18(17)22-8-4-5-9-22/h2-12,23-24H,1H3,(H,21,25)/b20-13+
InChIKeyNZULLPKPOKNHOZ-DEDYPNTBSA-N
XLogP3.04
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.04
H-Bond Donors ≤ 53
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

N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
CID 5051594
N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 4578193
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 6293320
N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012277
N-[(E)-1-(4-fluorophenyl)propylideneamino]-2-pyrrol-1-ylbenzamide
CID 16555755
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
[2-[(E)-C-methyl-N-[(2-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] thiophene-2-carboxylate
CID 19659210
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N-[[(E)-4-(1,3-benzodioxol-5-yl)but-3-en-2-ylidene]amino]-2-pyrrol-1-ylbenzamide
CID 129441391
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide (CID 17126850) is N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide is C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is NZULLPKPOKNHOZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(14-10-15(23)12-16(24)11-14)20-21-19(25)17-6-2-3-7-18(17)22-8-4-5-9-22/h2-12,23-24H,1H3,(H,21,25)/b20-13+.
What are the key properties of N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 335.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 17126850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).