N-benzyl-N-(cyanomethyl)furan-2-carboxamide

C14H12N2O2 — CID 61035761

IUPACN-benzyl-N-(cyanomethyl)furan-2-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C14H12N2O2/c15-8-9-16(11-12-5-2-1-3-6-12)14(17)13-7-4-10-18-13/h1-7,10H,9,11H2
InChIKeyPZRVKCXPXOKVHO-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.45
Rot. Bonds4

About N-benzyl-N-(cyanomethyl)furan-2-carboxamide

N-benzyl-N-(cyanomethyl)furan-2-carboxamide (PubChem CID 61035761) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-benzyl-N-(cyanomethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(cyanomethyl)furan-2-carboxamide
PubChem CID61035761
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-benzyl-N-(cyanomethyl)furan-2-carboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C14H12N2O2/c15-8-9-16(11-12-5-2-1-3-6-12)14(17)13-7-4-10-18-13/h1-7,10H,9,11H2
InChIKeyPZRVKCXPXOKVHO-UHFFFAOYSA-N
XLogP2.45
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzylfuran-2-carboxamide
CID 762503
N-benzyl-N-(cyanomethyl)prop-2-enamide
CID 61042063
N-benzyl-3,5-dibromo-N-(cyanomethyl)benzamide
CID 103908093
4-[benzyl(cyanomethyl)amino]-4-oxobutanoic acid
CID 54916538
N-(dibenzylcarbamothioyl)-N-methylfuran-2-carboxamide
CID 101020572
N-benzyl-3-bromo-N-(cyanomethyl)thiophene-2-carboxamide
CID 61381743
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
N-benzyl-6-bromo-N-(cyanomethyl)pyridine-2-carboxamide
CID 103889818
N-benzyl-N-[(5-methylfuran-2-yl)methyl]furan-2-carboxamide
CID 42773295
N-benzyl-2-bromo-N-(cyanomethyl)-6-fluorobenzamide
CID 114559561
(E)-4-[benzyl(cyanomethyl)amino]-4-oxobut-2-enoic acid
CID 54916537
N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
CID 61035902

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyanomethyl)furan-2-carboxamide?
The IUPAC name of N-benzyl-N-(cyanomethyl)furan-2-carboxamide (CID 61035761) is N-benzyl-N-(cyanomethyl)furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(cyanomethyl)furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-(cyanomethyl)furan-2-carboxamide is N#CCN(Cc1ccccc1)C(=O)c1ccco1.
What is the InChIKey of N-benzyl-N-(cyanomethyl)furan-2-carboxamide?
The InChIKey is PZRVKCXPXOKVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-8-9-16(11-12-5-2-1-3-6-12)14(17)13-7-4-10-18-13/h1-7,10H,9,11H2.
What are the key properties of N-benzyl-N-(cyanomethyl)furan-2-carboxamide?
N-benzyl-N-(cyanomethyl)furan-2-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyanomethyl)furan-2-carboxamide is sourced from PubChem (CID 61035761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).