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

C16H12ClN3O2 — CID 71239621

IUPAC2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide
SMILESN#Cc1cccc(CC(=O)N[C@@H]2COc3ncccc32)c1Cl
InChIInChI=1S/C16H12ClN3O2/c17-15-10(3-1-4-11(15)8-18)7-14(21)20-13-9-22-16-12(13)5-2-6-19-16/h1-6,13H,7,9H2,(H,20,21)/t13-/m1/s1
InChIKeyVSOUHOYRURFZIV-CYBMUJFWSA-N
MW313.74 g/mol
LogP2.40
Rot. Bonds3

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

2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide (PubChem CID 71239621) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide
PubChem CID71239621
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC Name2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide
SMILESN#Cc1cccc(CC(=O)N[C@@H]2COc3ncccc32)c1Cl
InChIInChI=1S/C16H12ClN3O2/c17-15-10(3-1-4-11(15)8-18)7-14(21)20-13-9-22-16-12(13)5-2-6-19-16/h1-6,13H,7,9H2,(H,20,21)/t13-/m1/s1
InChIKeyVSOUHOYRURFZIV-CYBMUJFWSA-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-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide (CID 71239621) is 2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide is N#Cc1cccc(CC(=O)N[C@@H]2COc3ncccc32)c1Cl.
What is the InChIKey of 2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is VSOUHOYRURFZIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c17-15-10(3-1-4-11(15)8-18)7-14(21)20-13-9-22-16-12(13)5-2-6-19-16/h1-6,13H,7,9H2,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-(2-chloro-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide?
2-(2-chloro-3-cyanophenyl)-N-[(3S)-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-3-cyanophenyl)-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 71239621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).