2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide

C16H12ClN3O2 — CID 71239524

IUPAC2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESN#Cc1ccc(CC(=O)NC2COc3ncccc32)c(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-13-6-10(8-18)3-4-11(13)7-15(21)20-14-9-22-16-12(14)2-1-5-19-16/h1-6,14H,7,9H2,(H,20,21)
InChIKeySPQKNRMKVBNVBV-UHFFFAOYSA-N
MW313.74 g/mol
LogP2.40
Rot. Bonds3

About 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide

2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (PubChem CID 71239524) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
PubChem CID71239524
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
SMILESN#Cc1ccc(CC(=O)NC2COc3ncccc32)c(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c17-13-6-10(8-18)3-4-11(13)7-15(21)20-14-9-22-16-12(14)2-1-5-19-16/h1-6,14H,7,9H2,(H,20,21)
InChIKeySPQKNRMKVBNVBV-UHFFFAOYSA-N
XLogP2.40
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide (CID 71239524) is 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is N#Cc1ccc(CC(=O)NC2COc3ncccc32)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is SPQKNRMKVBNVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-13-6-10(8-18)3-4-11(13)7-15(21)20-14-9-22-16-12(14)2-1-5-19-16/h1-6,14H,7,9H2,(H,20,21).
What are the key properties of 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide?
2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 313.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 71239524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).