N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide

C20H16N2O2 — CID 37429743

IUPACN-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C20H16N2O2/c21-13-16-8-10-18(11-9-16)20(23)22(15-19-7-4-12-24-19)14-17-5-2-1-3-6-17/h1-12H,14-15H2
InChIKeyPNYIPXSCOXPSSN-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.99
Rot. Bonds5

About N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide

N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide (PubChem CID 37429743) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
PubChem CID37429743
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC NameN-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C20H16N2O2/c21-13-16-8-10-18(11-9-16)20(23)22(15-19-7-4-12-24-19)14-17-5-2-1-3-6-17/h1-12H,14-15H2
InChIKeyPNYIPXSCOXPSSN-UHFFFAOYSA-N
XLogP3.99
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907635
ethyl 4-[[(4-cyanobenzoyl)-(furan-2-ylmethyl)amino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 46359313
N-benzyl-2-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 25482636
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 60542645
N-benzyl-N-(furan-2-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34907467
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
N,N-dibenzylfuran-2-carboxamide
CID 762503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide (CID 37429743) is N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide is N#Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PNYIPXSCOXPSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c21-13-16-8-10-18(11-9-16)20(23)22(15-19-7-4-12-24-19)14-17-5-2-1-3-6-17/h1-12H,14-15H2.
What are the key properties of N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide?
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide has a molecular weight of 316.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 37429743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).