2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide

C19H16ClF3N2O2 — CID 71239215

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1Cl)NC1COc2cncc(C3CC3)c21
InChIInChI=1S/C19H16ClF3N2O2/c20-18-11(2-1-3-13(18)19(21,22)23)6-16(26)25-14-9-27-15-8-24-7-12(17(14)15)10-4-5-10/h1-3,7-8,10,14H,4-6,9H2,(H,25,26)
InChIKeySRHDBOPTCYBGNF-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.42
Rot. Bonds4

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide

2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide (PubChem CID 71239215) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide
PubChem CID71239215
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1Cl)NC1COc2cncc(C3CC3)c21
InChIInChI=1S/C19H16ClF3N2O2/c20-18-11(2-1-3-13(18)19(21,22)23)6-16(26)25-14-9-27-15-8-24-7-12(17(14)15)10-4-5-10/h1-3,7-8,10,14H,4-6,9H2,(H,25,26)
InChIKeySRHDBOPTCYBGNF-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide (CID 71239215) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide is O=C(Cc1cccc(C(F)(F)F)c1Cl)NC1COc2cncc(C3CC3)c21.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide?
The InChIKey is SRHDBOPTCYBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c20-18-11(2-1-3-13(18)19(21,22)23)6-16(26)25-14-9-27-15-8-24-7-12(17(14)15)10-4-5-10/h1-3,7-8,10,14H,4-6,9H2,(H,25,26).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide?
2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide has a molecular weight of 396.80 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-N-(4-cyclopropyl-2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide is sourced from PubChem (CID 71239215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).