N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide

C18H15N3O2 — CID 135886418

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H15N3O2/c22-17-9-3-14(4-10-17)13-19-20-18(23)15-5-7-16(8-6-15)21-11-1-2-12-21/h1-13,22H,(H,20,23)/b19-13+
InChIKeyWFSUPAXUBMKGMZ-CPNJWEJPSA-N
MW305.34 g/mol
LogP2.95
Rot. Bonds4

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide (PubChem CID 135886418) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide
PubChem CID135886418
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H15N3O2/c22-17-9-3-14(4-10-17)13-19-20-18(23)15-5-7-16(8-6-15)21-11-1-2-12-21/h1-13,22H,(H,20,23)/b19-13+
InChIKeyWFSUPAXUBMKGMZ-CPNJWEJPSA-N
XLogP2.95
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide (CID 135886418) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide is O=C(N/N=C/c1ccc(O)cc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide?
The InChIKey is WFSUPAXUBMKGMZ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-9-3-14(4-10-17)13-19-20-18(23)15-5-7-16(8-6-15)21-11-1-2-12-21/h1-13,22H,(H,20,23)/b19-13+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide has a molecular weight of 305.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 135886418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).