(4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C22H24FN3O3 — CID 19156055

IUPAC(4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C22H24FN3O3/c1-13-19-17(25-26-21(27)14-9-11-15(23)12-10-14)7-4-8-18(19)29-20(13)22(28)24-16-5-2-3-6-16/h9-12,16H,2-8H2,1H3,(H,24,28)(H,26,27)/b25-17+
InChIKeyHQXISAUEWCCETM-KOEQRZSOSA-N
MW397.45 g/mol
LogP3.87
Rot. Bonds4

About (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

(4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 19156055) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID19156055
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2
InChIInChI=1S/C22H24FN3O3/c1-13-19-17(25-26-21(27)14-9-11-15(23)12-10-14)7-4-8-18(19)29-20(13)22(28)24-16-5-2-3-6-16/h9-12,16H,2-8H2,1H3,(H,24,28)(H,26,27)/b25-17+
InChIKeyHQXISAUEWCCETM-KOEQRZSOSA-N
XLogP3.87
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.87
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'}

Analyze (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-fluoro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635529
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301
N-cyclohexyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 7594453
N-cyclopentyl-3-methyl-1-benzofuran-2-carboxamide
CID 9078207
3-methyl-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 17173009
3-methyl-N-(2-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 24818395
N-cyclohexyl-3-methyl-1-benzofuran-2-carboxamide
CID 1157517
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2569117
3-[(2-Biphenyl-4-yl-acetyl)-hydrazono]-N-furan-2-ylmethyl-butyramide
CID 6148913
5-(4-fluorophenyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 1251540
N-cyclohexyl-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 16328265
7-fluoro-3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 24816922

Frequently Asked Questions

What is the IUPAC name of (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 19156055) is (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCC2)oc2c1/C(=N/NC(=O)c1ccc(F)cc1)CCC2.
What is the InChIKey of (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is HQXISAUEWCCETM-KOEQRZSOSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-13-19-17(25-26-21(27)14-9-11-15(23)12-10-14)7-4-8-18(19)29-20(13)22(28)24-16-5-2-3-6-16/h9-12,16H,2-8H2,1H3,(H,24,28)(H,26,27)/b25-17+.
What are the key properties of (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
(4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-cyclopentyl-4-[(4-fluorobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19156055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).