5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide

C16H16FNO3 — CID 110298073

IUPAC5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C16H16FNO3/c17-13-8-6-12(7-9-13)15(19)4-1-5-16(20)18-11-14-3-2-10-21-14/h2-3,6-10H,1,4-5,11H2,(H,18,20)
InChIKeyCENVGEFIKMGCHM-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.09
Rot. Bonds7

About 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide

5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide (PubChem CID 110298073) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
PubChem CID110298073
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
SMILESO=C(CCCC(=O)c1ccc(F)cc1)NCc1ccco1
InChIInChI=1S/C16H16FNO3/c17-13-8-6-12(7-9-13)15(19)4-1-5-16(20)18-11-14-3-2-10-21-14/h2-3,6-10H,1,4-5,11H2,(H,18,20)
InChIKeyCENVGEFIKMGCHM-UHFFFAOYSA-N
XLogP3.09
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(furan-2-ylmethylamino)propan-1-one
CID 94266793
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
CID 83172698
3-(4-acetylanilino)-N-(furan-2-ylmethyl)propanamide
CID 109018525
4-(4-fluorophenoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylbenzamide
CID 17487756
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
N-(3-acetamidopropyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110309532
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide (CID 110298073) is 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide is O=C(CCCC(=O)c1ccc(F)cc1)NCc1ccco1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide?
The InChIKey is CENVGEFIKMGCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-13-8-6-12(7-9-13)15(19)4-1-5-16(20)18-11-14-3-2-10-21-14/h2-3,6-10H,1,4-5,11H2,(H,18,20).
What are the key properties of 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide?
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide has a molecular weight of 289.31 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide is sourced from PubChem (CID 110298073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).