N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide

C17H13NO4 — CID 169332635

IUPACN-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccco2)cccc1-c1ccc(C=O)o1
InChIInChI=1S/C17H13NO4/c1-11-13(15-8-7-12(10-19)22-15)4-2-5-14(11)18-17(20)16-6-3-9-21-16/h2-10H,1H3,(H,18,20)
InChIKeyDFWIPFWHIQACBE-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.91
Rot. Bonds4

About N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide

N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 169332635) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide
PubChem CID169332635
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1c(NC(=O)c2ccco2)cccc1-c1ccc(C=O)o1
InChIInChI=1S/C17H13NO4/c1-11-13(15-8-7-12(10-19)22-15)4-2-5-14(11)18-17(20)16-6-3-9-21-16/h2-10H,1H3,(H,18,20)
InChIKeyDFWIPFWHIQACBE-UHFFFAOYSA-N
XLogP3.91
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-2-methylphenyl)furan-2-carboxamide
CID 64792711
N-(3-amino-2-methylphenyl)furan-2-carboxamide
CID 16775861
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]furan-2-carboxamide
CID 168516704
N-(3-azido-2-methylphenyl)furan-2-carboxamide
CID 169324992
N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide
CID 17313609
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
N-(4-methyl-2-phenylphenyl)furan-2-carboxamide
CID 110443419
N-(5-chloro-4,6-dimethyl-3-pyridinyl)furan-2-carboxamide
CID 75537595
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
N'-[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]furan-2-carbohydrazide
CID 9428099

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide (CID 169332635) is N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide is Cc1c(NC(=O)c2ccco2)cccc1-c1ccc(C=O)o1.
What is the InChIKey of N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is DFWIPFWHIQACBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-11-13(15-8-7-12(10-19)22-15)4-2-5-14(11)18-17(20)16-6-3-9-21-16/h2-10H,1H3,(H,18,20).
What are the key properties of N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide?
N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-formylfuran-2-yl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 169332635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).