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

C26H18N2O6 — CID 16814409

IUPACN-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C26H18N2O6/c1-32-17-9-6-8-16(14-17)27-25(30)23-22(18-10-3-5-12-21(18)33-23)28-24(29)19-13-15-7-2-4-11-20(15)34-26(19)31/h2-14H,1H3,(H,27,30)(H,28,29)
InChIKeyCSIKOIDFDCAOHJ-UHFFFAOYSA-N
MW454.44 g/mol
LogP5.05
Rot. Bonds5

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

N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide (PubChem CID 16814409) has the molecular formula C26H18N2O6 and a molecular weight of 454.44 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
PubChem CID16814409
Molecular FormulaC26H18N2O6
Molecular Weight454.44 g/mol
Exact Mass454.12
IUPAC NameN-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C26H18N2O6/c1-32-17-9-6-8-16(14-17)27-25(30)23-22(18-10-3-5-12-21(18)33-23)28-24(29)19-13-15-7-2-4-11-20(15)34-26(19)31/h2-14H,1H3,(H,27,30)(H,28,29)
InChIKeyCSIKOIDFDCAOHJ-UHFFFAOYSA-N
XLogP5.05
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814897
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785630
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
6-methoxy-N-naphthalen-2-yl-2-oxochromene-3-carboxamide
CID 16645470
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-[3-(6-methoxypyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 7593527
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide (CID 16814409) is N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide is COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
The InChIKey is CSIKOIDFDCAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O6/c1-32-17-9-6-8-16(14-17)27-25(30)23-22(18-10-3-5-12-21(18)33-23)28-24(29)19-13-15-7-2-4-11-20(15)34-26(19)31/h2-14H,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide?
N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide has a molecular weight of 454.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16814409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).