(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide

C17H14ClF3N2O2 — CID 89396973

IUPAC(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide
SMILES[2H]C([2H])([2H])[C@@H](C(=O)N[C@@H]1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)/t9-,13-/m1/s1/i1D3
InChIKeyCGZWZKJDTFHJQE-FSGHHGPISA-N
MW373.78 g/mol
LogP4.11
Rot. Bonds4

About (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide

(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide (PubChem CID 89396973) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 373.78 g/mol. Its IUPAC name is (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide
PubChem CID89396973
Molecular FormulaC17H14ClF3N2O2
Molecular Weight373.78 g/mol
Exact Mass373.09
IUPAC Name(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide
SMILES[2H]C([2H])([2H])[C@@H](C(=O)N[C@@H]1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)/t9-,13-/m1/s1/i1D3
InChIKeyCGZWZKJDTFHJQE-FSGHHGPISA-N
XLogP4.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide?
The IUPAC name of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide (CID 89396973) is (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide?
The canonical SMILES for (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide is [2H]C([2H])([2H])[C@@H](C(=O)N[C@@H]1COc2ncccc21)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide?
The InChIKey is CGZWZKJDTFHJQE-FSGHHGPISA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c1-9(10-4-2-6-12(14(10)18)17(19,20)21)15(24)23-13-8-25-16-11(13)5-3-7-22-16/h2-7,9,13H,8H2,1H3,(H,23,24)/t9-,13-/m1/s1/i1D3.
What are the key properties of (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide?
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide has a molecular weight of 373.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trideuterio-N-[(3S)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]propanamide is sourced from PubChem (CID 89396973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).