3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal

C20H20FNO2 — CID 91358678

IUPAC3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal
SMILESCCc1cc[nH]c1C(CC=O)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H20FNO2/c1-2-15-9-11-22-20(15)18(10-12-23)19-8-7-17(24-19)13-14-3-5-16(21)6-4-14/h3-9,11-12,18,22H,2,10,13H2,1H3
InChIKeyIBJKHJSOGYIIRP-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.62
Rot. Bonds7

About 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal

3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal (PubChem CID 91358678) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal.

Molecular Properties

Compound Name3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal
PubChem CID91358678
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal
SMILESCCc1cc[nH]c1C(CC=O)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C20H20FNO2/c1-2-15-9-11-22-20(15)18(10-12-23)19-8-7-17(24-19)13-14-3-5-16(21)6-4-14/h3-9,11-12,18,22H,2,10,13H2,1H3
InChIKeyIBJKHJSOGYIIRP-UHFFFAOYSA-N
XLogP4.62
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
CID 10542381
4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1485172
4-(2-Furan-3-yl-5-phenyl-1H-pyrrol-3-yl)-pyridine
CID 44324117
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-pyrrol-3-yl)prop-2-en-1-one
CID 44388178
4-[2-Furan-3-yl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399577
2-Furan-2-YL-2-(1H-indol-3-YL)-ethylamine acetate
CID 24746779
3-(2-Furanylmethyl)-1H-pyrrole
CID 14363437
N-(2-furylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 1485173
3-(4-Methoxyphenyl)-3,7-dihydropyrrolo[3,2-f]indole-4,8-dione
CID 45482951
(4-Fluorophenyl)((3S,4S)-3-(furan-2-yl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl)methanone
CID 155755566
6-fluoro-3-(4-fluoropiperidin-3-yl)-2-(furan-3-yl)-1H-indole
CID 9904484
(Z)-1-[5-[(4-fluorophenyl)methyl]-2-furyl]-3-hydroxy-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 6478857

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal?
The IUPAC name of 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal (CID 91358678) is 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal.
What is the SMILES notation for 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal?
The canonical SMILES for 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal is CCc1cc[nH]c1C(CC=O)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal?
The InChIKey is IBJKHJSOGYIIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-2-15-9-11-22-20(15)18(10-12-23)19-8-7-17(24-19)13-14-3-5-16(21)6-4-14/h3-9,11-12,18,22H,2,10,13H2,1H3.
What are the key properties of 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal?
3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal has a molecular weight of 325.38 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1H-pyrrol-2-yl)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propanal is sourced from PubChem (CID 91358678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).