4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide

C14H12N2O2 — CID 9481732

IUPAC4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C14H12N2O2/c1-10(13-3-2-8-18-13)16-14(17)12-6-4-11(9-15)5-7-12/h2-8,10H,1H3,(H,16,17)/t10-/m1/s1
InChIKeyISLXQLWTIXGAGJ-SNVBAGLBSA-N
MW240.26 g/mol
LogP2.64
Rot. Bonds3

About 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide

4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide (PubChem CID 9481732) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
PubChem CID9481732
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccco1
InChIInChI=1S/C14H12N2O2/c1-10(13-3-2-8-18-13)16-14(17)12-6-4-11(9-15)5-7-12/h2-8,10H,1H3,(H,16,17)/t10-/m1/s1
InChIKeyISLXQLWTIXGAGJ-SNVBAGLBSA-N
XLogP2.64
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 9201966
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 9482027
4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 8856828
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide (CID 9481732) is 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccco1.
What is the InChIKey of 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
The InChIKey is ISLXQLWTIXGAGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10(13-3-2-8-18-13)16-14(17)12-6-4-11(9-15)5-7-12/h2-8,10H,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide?
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide has a molecular weight of 240.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 9481732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).