N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide

C14H14N2O2 — CID 7655966

IUPACN-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2=C(C#N)CCO2)c1
InChIInChI=1S/C14H14N2O2/c1-9-3-4-10(2)12(7-9)13(17)16-14-11(8-15)5-6-18-14/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyFPNVBEYTOTXEBL-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.19
Rot. Bonds2

About N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide

N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide (PubChem CID 7655966) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide
PubChem CID7655966
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2=C(C#N)CCO2)c1
InChIInChI=1S/C14H14N2O2/c1-9-3-4-10(2)12(7-9)13(17)16-14-11(8-15)5-6-18-14/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChIKeyFPNVBEYTOTXEBL-UHFFFAOYSA-N
XLogP2.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-2,3-dihydrofuran-5-yl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086365
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
N',2,5-trimethylbenzohydrazide
CID 116846828
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979
2,5-dimethylbenzoic acid;2,5-dimethylbenzonitrile
CID 160621649
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide (CID 7655966) is N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2=C(C#N)CCO2)c1.
What is the InChIKey of N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide?
The InChIKey is FPNVBEYTOTXEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-3-4-10(2)12(7-9)13(17)16-14-11(8-15)5-6-18-14/h3-4,7H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide?
N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2,3-dihydrofuran-5-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 7655966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).