N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide

C20H18FN3O2 — CID 17311286

IUPACN-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O2/c1-13-11-16(14(2)24(13)18-7-5-17(21)6-8-18)12-22-23-20(26)15-3-9-19(25)10-4-15/h3-12,25H,1-2H3,(H,23,26)/b22-12+
InChIKeyRYCJZHWUFKCODF-WSDLNYQXSA-N
MW351.38 g/mol
LogP3.70
Rot. Bonds4

About N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide

N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 17311286) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID17311286
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide
SMILESCc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H18FN3O2/c1-13-11-16(14(2)24(13)18-7-5-17(21)6-8-18)12-22-23-20(26)15-3-9-19(25)10-4-15/h3-12,25H,1-2H3,(H,23,26)/b22-12+
InChIKeyRYCJZHWUFKCODF-WSDLNYQXSA-N
XLogP3.70
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide (CID 17311286) is N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide is Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is RYCJZHWUFKCODF-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-11-16(14(2)24(13)18-7-5-17(21)6-8-18)12-22-23-20(26)15-3-9-19(25)10-4-15/h3-12,25H,1-2H3,(H,23,26)/b22-12+.
What are the key properties of N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide?
N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 351.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 17311286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).