N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide

C15H11FN2O3 — CID 108762895

IUPACN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccccc2F)c1C#N
InChIInChI=1S/C15H11FN2O3/c1-8(19)13-9(2)21-15(11(13)7-17)18-14(20)10-5-3-4-6-12(10)16/h3-6H,1-2H3,(H,18,20)
InChIKeyOHXDVDCRWTXAAG-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.05
Rot. Bonds3

About N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide

N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide (PubChem CID 108762895) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
PubChem CID108762895
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC NameN-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccccc2F)c1C#N
InChIInChI=1S/C15H11FN2O3/c1-8(19)13-9(2)21-15(11(13)7-17)18-14(20)10-5-3-4-6-12(10)16/h3-6H,1-2H3,(H,18,20)
InChIKeyOHXDVDCRWTXAAG-UHFFFAOYSA-N
XLogP3.05
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 5-[(2-chlorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757254
methyl 5-[(2-chloro-6-fluorobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108733932
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2,2-dimethylpropanamide
CID 108740341
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)butanamide
CID 108740356
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
CID 108762743
4-acetyl-2-(1,3-benzoxazol-2-ylamino)-5-methylfuran-3-carbonitrile
CID 108776497
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108740284
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 108763040
(Z)-N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 108762975
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide (CID 108762895) is N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide is CC(=O)c1c(C)oc(NC(=O)c2ccccc2F)c1C#N.
What is the InChIKey of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide?
The InChIKey is OHXDVDCRWTXAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c1-8(19)13-9(2)21-15(11(13)7-17)18-14(20)10-5-3-4-6-12(10)16/h3-6H,1-2H3,(H,18,20).
What are the key properties of N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide?
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide has a molecular weight of 286.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 108762895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).