N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide

C20H17NO3 — CID 169332496

IUPACN-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3ccc(C=O)o3)c2)cc1C
InChIInChI=1S/C20H17NO3/c1-13-6-7-17(10-14(13)2)21-20(23)16-5-3-4-15(11-16)19-9-8-18(12-22)24-19/h3-12H,1-2H3,(H,21,23)
InChIKeyKNIHQWUEGZINFP-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.63
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide

N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide (PubChem CID 169332496) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide
PubChem CID169332496
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC NameN-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3ccc(C=O)o3)c2)cc1C
InChIInChI=1S/C20H17NO3/c1-13-6-7-17(10-14(13)2)21-20(23)16-5-3-4-15(11-16)19-9-8-18(12-22)24-19/h3-12H,1-2H3,(H,21,23)
InChIKeyKNIHQWUEGZINFP-UHFFFAOYSA-N
XLogP4.63
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 1491468
N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
CID 169334090
3-[4-(5-formylfuran-2-yl)phenyl]benzoic acid
CID 169334403
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
N-(3,4-dimethylphenyl)-N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
CID 94837456
5-[3-(3-fluoro-4-methylphenyl)phenyl]furan-2-carbaldehyde
CID 169332976
5-[3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carbaldehyde
CID 169334414
3-chloro-N-[4-[[(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]prop-2-enoyl]carbamothioylamino]phenyl]benzamide
CID 21169601
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
5-[5-[(Z)-2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-enyl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 26478655
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
3-N-cyclohexyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109052202

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide (CID 169332496) is N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide is Cc1ccc(NC(=O)c2cccc(-c3ccc(C=O)o3)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide?
The InChIKey is KNIHQWUEGZINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-6-7-17(10-14(13)2)21-20(23)16-5-3-4-15(11-16)19-9-8-18(12-22)24-19/h3-12H,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide?
N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide is sourced from PubChem (CID 169332496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).