N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide

C21H18N2O3 — CID 111969862

IUPACN-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O3/c22-13-16-8-10-18(11-9-16)21(25)23(14-17-5-2-1-3-6-17)15-19(24)20-7-4-12-26-20/h1-12,19,24H,14-15H2
InChIKeyBGEZWKTYBXRDMS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.53
Rot. Bonds6

About N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide

N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide (PubChem CID 111969862) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
PubChem CID111969862
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cc1
InChIInChI=1S/C21H18N2O3/c22-13-16-8-10-18(11-9-16)21(25)23(14-17-5-2-1-3-6-17)15-19(24)20-7-4-12-26-20/h1-12,19,24H,14-15H2
InChIKeyBGEZWKTYBXRDMS-UHFFFAOYSA-N
XLogP3.53
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
N-benzyl-1-tert-butyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 139004625
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 84586214
N-benzyl-2,4-difluoro-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylbenzamide
CID 75425042
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
CID 110025714
N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
CID 111969855
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120638257
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638256
N-benzyl-4-cyano-N-[2-(2-phenylethynyl)phenyl]benzamide
CID 166175709

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide (CID 111969862) is N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide is N#Cc1ccc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)cc1.
What is the InChIKey of N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The InChIKey is BGEZWKTYBXRDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c22-13-16-8-10-18(11-9-16)21(25)23(14-17-5-2-1-3-6-17)15-19(24)20-7-4-12-26-20/h1-12,19,24H,14-15H2.
What are the key properties of N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide?
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 111969862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).