4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide

C18H15N3O2 — CID 50854705

IUPAC4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccn(-c2ccccc2)c1)c1ccc(O)cc1
InChIInChI=1S/C18H15N3O2/c22-17-8-6-15(7-9-17)18(23)20-19-12-14-10-11-21(13-14)16-4-2-1-3-5-16/h1-13,22H,(H,20,23)/b19-12-
InChIKeyIOHBULOUYHYJRQ-UNOMPAQXSA-N
MW305.34 g/mol
LogP2.95
Rot. Bonds4

About 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide

4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide (PubChem CID 50854705) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
PubChem CID50854705
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccn(-c2ccccc2)c1)c1ccc(O)cc1
InChIInChI=1S/C18H15N3O2/c22-17-8-6-15(7-9-17)18(23)20-19-12-14-10-11-21(13-14)16-4-2-1-3-5-16/h1-13,22H,(H,20,23)/b19-12-
InChIKeyIOHBULOUYHYJRQ-UNOMPAQXSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50855117
N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50854816
N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50854683
2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854715
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
4-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135781840
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 139068504
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide (CID 50854705) is 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccn(-c2ccccc2)c1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The InChIKey is IOHBULOUYHYJRQ-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17-8-6-15(7-9-17)18(23)20-19-12-14-10-11-21(13-14)16-4-2-1-3-5-16/h1-13,22H,(H,20,23)/b19-12-.
What are the key properties of 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide 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 4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 50854705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).