3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide

C26H19ClN2O3 — CID 108802318

IUPAC3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
SMILESN#Cc1c(NC(=O)CCOc2ccccc2Cl)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H19ClN2O3/c27-21-13-7-8-14-22(21)31-16-15-23(30)29-26-20(17-28)24(18-9-3-1-4-10-18)25(32-26)19-11-5-2-6-12-19/h1-14H,15-16H2,(H,29,30)
InChIKeyXZMBSGDXXYSNGS-UHFFFAOYSA-N
MW442.90 g/mol
LogP6.55
Rot. Bonds7

About 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide

3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide (PubChem CID 108802318) has the molecular formula C26H19ClN2O3 and a molecular weight of 442.90 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
PubChem CID108802318
Molecular FormulaC26H19ClN2O3
Molecular Weight442.90 g/mol
Exact Mass442.11
IUPAC Name3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
SMILESN#Cc1c(NC(=O)CCOc2ccccc2Cl)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H19ClN2O3/c27-21-13-7-8-14-22(21)31-16-15-23(30)29-26-20(17-28)24(18-9-3-1-4-10-18)25(32-26)19-11-5-2-6-12-19/h1-14H,15-16H2,(H,29,30)
InChIKeyXZMBSGDXXYSNGS-UHFFFAOYSA-N
XLogP6.55
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.90
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
methyl 5-[3-(2-chlorophenoxy)propanoylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108802316
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 23735196
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 23940783
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 46303348

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide (CID 108802318) is 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide is N#Cc1c(NC(=O)CCOc2ccccc2Cl)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
The InChIKey is XZMBSGDXXYSNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O3/c27-21-13-7-8-14-22(21)31-16-15-23(30)29-26-20(17-28)24(18-9-3-1-4-10-18)25(32-26)19-11-5-2-6-12-19/h1-14H,15-16H2,(H,29,30).
What are the key properties of 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide?
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide has a molecular weight of 442.90 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide is sourced from PubChem (CID 108802318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).