N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide

C21H15NO4 — CID 4660207

IUPACN-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESO=C(NCc1ccco1)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H15NO4/c23-20(22-13-15-9-6-12-25-15)19-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)21(24)26-19/h1-12H,13H2,(H,22,23)
InChIKeyMWOVSMKSPUFHBF-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.98
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide

N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide (PubChem CID 4660207) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
PubChem CID4660207
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC NameN-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide
SMILESO=C(NCc1ccco1)c1oc(=O)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C21H15NO4/c23-20(22-13-15-9-6-12-25-15)19-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)21(24)26-19/h1-12H,13H2,(H,22,23)
InChIKeyMWOVSMKSPUFHBF-UHFFFAOYSA-N
XLogP3.98
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-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

N-(2,6-diethylphenyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 4069125
N-(3,3-diethoxypropyl)-1-oxo-4-phenylisochromene-3-carboxamide
CID 126479967
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316
1-oxo-4-phenyl-N-(1-phenylbutan-2-yl)isochromene-3-carboxamide
CID 4073647
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
5-amino-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 82344099
N-[(3,5-dimethylphenyl)methyl]-8-oxo-5-phenylpyrano[3,4-b]pyridine-6-carboxamide
CID 139935058
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide (CID 4660207) is N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide is O=C(NCc1ccco1)c1oc(=O)c2ccccc2c1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
The InChIKey is MWOVSMKSPUFHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO4/c23-20(22-13-15-9-6-12-25-15)19-18(14-7-2-1-3-8-14)16-10-4-5-11-17(16)21(24)26-19/h1-12H,13H2,(H,22,23).
What are the key properties of N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide?
N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-oxo-4-phenylisochromene-3-carboxamide is sourced from PubChem (CID 4660207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).