(2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide

C21H19F2N3O2 — CID 25143532

IUPAC(2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide
SMILESN[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O2/c22-18-9-6-15(12-19(18)23)26-21(27)20(24)11-14-4-7-17(8-5-14)28-13-16-3-1-2-10-25-16/h1-10,12,20H,11,13,24H2,(H,26,27)/t20-/m0/s1
InChIKeyGJKRMRNYRLIXGR-FQEVSTJZSA-N
MW383.40 g/mol
LogP3.45
Rot. Bonds7

About (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide

(2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide (PubChem CID 25143532) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide
PubChem CID25143532
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name(2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide
SMILESN[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O2/c22-18-9-6-15(12-19(18)23)26-21(27)20(24)11-14-4-7-17(8-5-14)28-13-16-3-1-2-10-25-16/h1-10,12,20H,11,13,24H2,(H,26,27)/t20-/m0/s1
InChIKeyGJKRMRNYRLIXGR-FQEVSTJZSA-N
XLogP3.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide (CID 25143532) is (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide is N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
The InChIKey is GJKRMRNYRLIXGR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-18-9-6-15(12-19(18)23)26-21(27)20(24)11-14-4-7-17(8-5-14)28-13-16-3-1-2-10-25-16/h1-10,12,20H,11,13,24H2,(H,26,27)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
(2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide has a molecular weight of 383.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-difluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 25143532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).