4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide

C19H15NO3 — CID 169335155

IUPAC4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1
InChIInChI=1S/C19H15NO3/c1-20(16-5-3-2-4-6-16)19(22)15-9-7-14(8-10-15)18-12-11-17(13-21)23-18/h2-13H,1H3
InChIKeyMLJRJKFLHUZGCF-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.04
Rot. Bonds4

About 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide

4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide (PubChem CID 169335155) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide
PubChem CID169335155
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1
InChIInChI=1S/C19H15NO3/c1-20(16-5-3-2-4-6-16)19(22)15-9-7-14(8-10-15)18-12-11-17(13-21)23-18/h2-13H,1H3
InChIKeyMLJRJKFLHUZGCF-UHFFFAOYSA-N
XLogP4.04
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(E)-2-[4-[methyl(phenyl)carbamoyl]phenyl]ethenyl]-N-phenylbenzamide
CID 134109031
propan-2-yl 4-(5-formylfuran-2-yl)benzoate
CID 17274103
3-[4-(5-formylfuran-2-yl)phenyl]benzoic acid
CID 169334403
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
propan-2-yl 4-[4-(5-formylfuran-2-yl)phenyl]benzoate
CID 169333865
furan;5-phenylfuran-2-carbaldehyde
CID 175007564
tert-butyl N-[3-(5-formylfuran-2-yl)phenyl]-N-methylcarbamate
CID 156536295
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
4-acetamido-N-methyl-N-phenylbenzamide
CID 669468
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
4-isocyanato-N-methyl-N-phenylbenzamide
CID 169355028
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide (CID 169335155) is 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide?
The InChIKey is MLJRJKFLHUZGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-20(16-5-3-2-4-6-16)19(22)15-9-7-14(8-10-15)18-12-11-17(13-21)23-18/h2-13H,1H3.
What are the key properties of 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide?
4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide has a molecular weight of 305.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 169335155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).