4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide

C15H14N2O2 — CID 90536031

IUPAC4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(C#N)cc2)c(C)o1
InChIInChI=1S/C15H14N2O2/c1-10-7-14(11(2)19-10)9-17-15(18)13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyFAEHXLXVZTXXHY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.70
Rot. Bonds3

About 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide

4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide (PubChem CID 90536031) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
PubChem CID90536031
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(C#N)cc2)c(C)o1
InChIInChI=1S/C15H14N2O2/c1-10-7-14(11(2)19-10)9-17-15(18)13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18)
InChIKeyFAEHXLXVZTXXHY-UHFFFAOYSA-N
XLogP2.70
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 90536144
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
tert-butyl N-[[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]methyl]carbamate
CID 46591116
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 86950413
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide (CID 90536031) is 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(C#N)cc2)c(C)o1.
What is the InChIKey of 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
The InChIKey is FAEHXLXVZTXXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-7-14(11(2)19-10)9-17-15(18)13-5-3-12(8-16)4-6-13/h3-7H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide?
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide has a molecular weight of 254.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 90536031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).