4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide

C16H16N2O3 — CID 169332555

IUPAC4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(-c2ccc(C=O)o2)cc1N1CCCC1
InChIInChI=1S/C16H16N2O3/c17-16(20)13-5-3-11(15-6-4-12(10-19)21-15)9-14(13)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H2,17,20)
InChIKeyFODXNSICTTVJDS-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.46
Rot. Bonds4

About 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide

4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 169332555) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide
PubChem CID169332555
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1ccc(-c2ccc(C=O)o2)cc1N1CCCC1
InChIInChI=1S/C16H16N2O3/c17-16(20)13-5-3-11(15-6-4-12(10-19)21-15)9-14(13)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H2,17,20)
InChIKeyFODXNSICTTVJDS-UHFFFAOYSA-N
XLogP2.46
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.46
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

4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085
5-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334739
5-(5-fluoro-2-pyrrolidin-1-ylphenyl)furan-2-carbaldehyde
CID 169334507
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842
tert-butyl 4-[4-(5-formylfuran-2-yl)-2-methylphenyl]piperazine-1-carboxylate
CID 169334378
1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxamide
CID 169335732
5-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]furan-2-carbaldehyde
CID 169331743
4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
tert-butyl 6-(5-formylfuran-2-yl)-3,3-dimethyl-2H-indole-1-carboxylate
CID 169332941
5-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)furan-2-carbaldehyde
CID 169335246
5-(1,3,3-trimethyl-2H-indol-5-yl)furan-2-carbaldehyde
CID 169335380
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-chloro-5-(5-formylfuran-2-yl)benzoate
CID 126188698

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide (CID 169332555) is 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide is NC(=O)c1ccc(-c2ccc(C=O)o2)cc1N1CCCC1.
What is the InChIKey of 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is FODXNSICTTVJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-16(20)13-5-3-11(15-6-4-12(10-19)21-15)9-14(13)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H2,17,20).
What are the key properties of 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide?
4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 284.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylfuran-2-yl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 169332555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).