N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide

C19H14N2O2 — CID 54768736

IUPACN-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C19H14N2O2/c20-12-15-8-4-5-9-16(15)17-10-11-18(23-17)19(22)21-13-14-6-2-1-3-7-14/h1-11H,13H2,(H,21,22)
InChIKeyROSLHFKDIPWDJF-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.75
Rot. Bonds4

About N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide

N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide (PubChem CID 54768736) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
PubChem CID54768736
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC NameN-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C19H14N2O2/c20-12-15-8-4-5-9-16(15)17-10-11-18(23-17)19(22)21-13-14-6-2-1-3-7-14/h1-11H,13H2,(H,21,22)
InChIKeyROSLHFKDIPWDJF-UHFFFAOYSA-N
XLogP3.75
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-cyano-1H-pyrrole-3-carboxamide
CID 59478029
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
5-(2-chlorophenyl)-N-(2-cyanophenyl)furan-2-carboxamide
CID 944882
N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]benzamide
CID 139663825
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 1280117
ethyl 4-[[(5-phenylfuran-2-carbonyl)amino]methyl]benzoate
CID 59654810
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
2-(2-cyanophenyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 26953457

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide (CID 54768736) is N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide is N#Cc1ccccc1-c1ccc(C(=O)NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide?
The InChIKey is ROSLHFKDIPWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c20-12-15-8-4-5-9-16(15)17-10-11-18(23-17)19(22)21-13-14-6-2-1-3-7-14/h1-11H,13H2,(H,21,22).
What are the key properties of N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide?
N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide is sourced from PubChem (CID 54768736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).