N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide

C26H18N2O5 — CID 16814897

IUPACN-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C26H18N2O5/c1-15-10-12-17(13-11-15)27-25(30)23-22(18-7-3-5-9-21(18)32-23)28-24(29)19-14-16-6-2-4-8-20(16)33-26(19)31/h2-14H,1H3,(H,27,30)(H,28,29)
InChIKeySGPMHWPBUUODQQ-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.35
Rot. Bonds4

About N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide

N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide (PubChem CID 16814897) has the molecular formula C26H18N2O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
PubChem CID16814897
Molecular FormulaC26H18N2O5
Molecular Weight438.44 g/mol
Exact Mass438.12
IUPAC NameN-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C26H18N2O5/c1-15-10-12-17(13-11-15)27-25(30)23-22(18-7-3-5-9-21(18)32-23)28-24(29)19-14-16-6-2-4-8-20(16)33-26(19)31/h2-14H,1H3,(H,27,30)(H,28,29)
InChIKeySGPMHWPBUUODQQ-UHFFFAOYSA-N
XLogP5.35
TPSA101.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-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-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814409
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3632936
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide (CID 16814897) is N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide is Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
The InChIKey is SGPMHWPBUUODQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O5/c1-15-10-12-17(13-11-15)27-25(30)23-22(18-7-3-5-9-21(18)32-23)28-24(29)19-14-16-6-2-4-8-20(16)33-26(19)31/h2-14H,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16814897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).