2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

C22H25F2N3O4 — CID 42943156

IUPAC2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H25F2N3O4/c1-13(2)19(26-20(28)18-16(23)4-3-5-17(18)24)21(29)25-15-6-9-27(10-7-15)22(30)14-8-11-31-12-14/h3-5,8,11-13,15,19H,6-7,9-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKUIUWAZJMHGGCT-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.73
Rot. Bonds6

About 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide

2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 42943156) has the molecular formula C22H25F2N3O4 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID42943156
Molecular FormulaC22H25F2N3O4
Molecular Weight433.46 g/mol
Exact Mass433.18
IUPAC Name2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H25F2N3O4/c1-13(2)19(26-20(28)18-16(23)4-3-5-17(18)24)21(29)25-15-6-9-27(10-7-15)22(30)14-8-11-31-12-14/h3-5,8,11-13,15,19H,6-7,9-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyKUIUWAZJMHGGCT-UHFFFAOYSA-N
XLogP2.73
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 46540408
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
2,6-difluoro-N-[3-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
CID 56569608
4-fluoro-N-[1-[[1-(2-fluorobenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55702964
2,6-difluoro-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzamide
CID 24540039
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 46420852
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
N-[1-(dicyclopropylmethylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 86920575
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
CID 55696964

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 42943156) is 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1c(F)cccc1F)C(=O)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is KUIUWAZJMHGGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4/c1-13(2)19(26-20(28)18-16(23)4-3-5-17(18)24)21(29)25-15-6-9-27(10-7-15)22(30)14-8-11-31-12-14/h3-5,8,11-13,15,19H,6-7,9-10H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide?
2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 433.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 42943156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).