(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide

C21H19ClFN3O2 — CID 25143538

IUPAC(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide
SMILESN[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c22-18-12-15(6-9-19(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
InChIKeyFQLQKFXHQTXLGA-FQEVSTJZSA-N
MW399.85 g/mol
LogP3.96
Rot. Bonds7

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

(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide (PubChem CID 25143538) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide
PubChem CID25143538
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide
SMILESN[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H19ClFN3O2/c22-18-12-15(6-9-19(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
InChIKeyFQLQKFXHQTXLGA-FQEVSTJZSA-N
XLogP3.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide (CID 25143538) is (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide is N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
The InChIKey is FQLQKFXHQTXLGA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-18-12-15(6-9-19(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-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide?
(2S)-2-amino-N-(3-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide has a molecular weight of 399.85 g/mol, XLogP of 3.96, 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-chloro-4-fluorophenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 25143538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).