3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

C21H16N2O4 — CID 20875399

IUPAC3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H16N2O4/c1-13-8-10-14(11-9-13)22-21(25)19-18(15-5-2-3-6-16(15)27-19)23-20(24)17-7-4-12-26-17/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyFZLVIBJCTOQZIN-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.84
Rot. Bonds4

About 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 20875399) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID20875399
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H16N2O4/c1-13-8-10-14(11-9-13)22-21(25)19-18(15-5-2-3-6-16(15)27-19)23-20(24)17-7-4-12-26-17/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyFZLVIBJCTOQZIN-UHFFFAOYSA-N
XLogP4.84
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 7501964
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
N-[2-[(4-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814897
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
CID 4281017
N-[2-(furan-2-carbonyl)-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2465499
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide (CID 20875399) is 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1.
What is the InChIKey of 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is FZLVIBJCTOQZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-13-8-10-14(11-9-13)22-21(25)19-18(15-5-2-3-6-16(15)27-19)23-20(24)17-7-4-12-26-17/h2-12H,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide?
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).