3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide

C21H19N3O4 — CID 109054046

IUPAC3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C21H19N3O4/c1-14(25)23-17-7-9-18(10-8-17)24-21(27)16-5-2-4-15(12-16)20(26)22-13-19-6-3-11-28-19/h2-12H,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyKIEVSGIBSMFLRV-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.42
Rot. Bonds6

About 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide

3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109054046) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109054046
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C21H19N3O4/c1-14(25)23-17-7-9-18(10-8-17)24-21(27)16-5-2-4-15(12-16)20(26)22-13-19-6-3-11-28-19/h2-12H,13H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyKIEVSGIBSMFLRV-UHFFFAOYSA-N
XLogP3.42
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054062
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
4-N-(4-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085243
3-(2-ethoxyethoxy)-N-[4-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 28638494

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109054046) is 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is KIEVSGIBSMFLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14(25)23-17-7-9-18(10-8-17)24-21(27)16-5-2-4-15(12-16)20(26)22-13-19-6-3-11-28-19/h2-12H,13H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).