4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide

C16H16N2O2 — CID 9141737

IUPAC4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-12(4-9-15-3-2-10-20-15)18-16(19)14-7-5-13(11-17)6-8-14/h2-3,5-8,10,12H,4,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWFJJJXWCKOLYTH-LBPRGKRZSA-N
MW268.32 g/mol
LogP2.90
Rot. Bonds5

About 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide

4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 9141737) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID9141737
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
SMILESC[C@@H](CCc1ccco1)NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C16H16N2O2/c1-12(4-9-15-3-2-10-20-15)18-16(19)14-7-5-13(11-17)6-8-14/h2-3,5-8,10,12H,4,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWFJJJXWCKOLYTH-LBPRGKRZSA-N
XLogP2.90
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 47010072
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
4-[2-(ethylamino)-2-oxoethoxy]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 42944232
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
N-[4-(furan-2-yl)butan-2-yl]thiophene-3-carboxamide
CID 18194695
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide (CID 9141737) is 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide is C[C@@H](CCc1ccco1)NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is WFJJJXWCKOLYTH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-12(4-9-15-3-2-10-20-15)18-16(19)14-7-5-13(11-17)6-8-14/h2-3,5-8,10,12H,4,9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide?
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 268.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 9141737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).