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

C22H18N2O4 — CID 7501964

IUPACN-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C22H18N2O4/c1-13-9-10-15(12-14(13)2)23-22(26)20-19(16-6-3-4-7-17(16)28-20)24-21(25)18-8-5-11-27-18/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyIGYKQUKNLZYFBS-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.15
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide (PubChem CID 7501964) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
PubChem CID7501964
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C22H18N2O4/c1-13-9-10-15(12-14(13)2)23-22(26)20-19(16-6-3-4-7-17(16)28-20)24-21(25)18-8-5-11-27-18/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyIGYKQUKNLZYFBS-UHFFFAOYSA-N
XLogP5.15
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
N-(3,4-dimethylphenyl)-3-[(4-phenylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16817911
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
CID 4281017
N-(4-methyl-2-oxochromen-7-yl)furan-2-carboxamide
CID 8840067
N-[2-(furan-2-carbonyl)-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2465499
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide (CID 7501964) is N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide?
The InChIKey is IGYKQUKNLZYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-13-9-10-15(12-14(13)2)23-22(26)20-19(16-6-3-4-7-17(16)28-20)24-21(25)18-8-5-11-27-18/h3-12H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide?
N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7501964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).