N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide

C21H17N3O4 — CID 55598715

IUPACN-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H17N3O4/c1-14(28-18-6-3-2-5-15(18)13-22)20(25)23-16-8-10-17(11-9-16)24-21(26)19-7-4-12-27-19/h2-12,14H,1H3,(H,23,25)(H,24,26)
InChIKeyYLPQNZAYRYWBOG-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.81
Rot. Bonds6

About N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide

N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide (PubChem CID 55598715) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
PubChem CID55598715
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H17N3O4/c1-14(28-18-6-3-2-5-15(18)13-22)20(25)23-16-8-10-17(11-9-16)24-21(26)19-7-4-12-27-19/h2-12,14H,1H3,(H,23,25)(H,24,26)
InChIKeyYLPQNZAYRYWBOG-UHFFFAOYSA-N
XLogP3.81
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309
N-[4-(2-cyanophenoxy)phenyl]furan-2-carboxamide
CID 87012577
3-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120540584
N-[4-[2-(4-phenylphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 46686822
N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622
2-(2-cyanophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 55597385
(2R)-2-(2-cyanophenoxy)-N-(1H-pyrazol-4-yl)propanamide
CID 93045041
N-[2-[[4-(2-phenoxypropanoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062862
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
[(2R)-1-oxo-1-phenylpropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 40642570
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide (CID 55598715) is N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide is CC(Oc1ccccc1C#N)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is YLPQNZAYRYWBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-14(28-18-6-3-2-5-15(18)13-22)20(25)23-16-8-10-17(11-9-16)24-21(26)19-7-4-12-27-19/h2-12,14H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide?
N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyanophenoxy)propanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55598715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).