5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride

C20H18ClF2N3O — CID 71185261

IUPAC5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc(-c2cccnc2[C@@H](N)Cc2cccc(F)c2)ccc1F
InChIInChI=1S/C20H17F2N3O.ClH/c21-14-4-1-3-12(9-14)10-18(23)19-15(5-2-8-25-19)13-6-7-17(22)16(11-13)20(24)26;/h1-9,11,18H,10,23H2,(H2,24,26);1H/t18-;/m0./s1
InChIKeyWJONNEGDXPUFKY-FERBBOLQSA-N
MW389.83 g/mol
LogP3.79
Rot. Bonds5

About 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride

5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride (PubChem CID 71185261) has the molecular formula C20H18ClF2N3O and a molecular weight of 389.83 g/mol. Its IUPAC name is 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride
PubChem CID71185261
Molecular FormulaC20H18ClF2N3O
Molecular Weight389.83 g/mol
Exact Mass389.11
IUPAC Name5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride
SMILESCl.NC(=O)c1cc(-c2cccnc2[C@@H](N)Cc2cccc(F)c2)ccc1F
InChIInChI=1S/C20H17F2N3O.ClH/c21-14-4-1-3-12(9-14)10-18(23)19-15(5-2-8-25-19)13-6-7-17(22)16(11-13)20(24)26;/h1-9,11,18H,10,23H2,(H2,24,26);1H/t18-;/m0./s1
InChIKeyWJONNEGDXPUFKY-FERBBOLQSA-N
XLogP3.79
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.83
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride 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 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride (CID 71185261) is 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride is Cl.NC(=O)c1cc(-c2cccnc2[C@@H](N)Cc2cccc(F)c2)ccc1F.
What is the InChIKey of 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride?
The InChIKey is WJONNEGDXPUFKY-FERBBOLQSA-N. The full InChI is InChI=1S/C20H17F2N3O.ClH/c21-14-4-1-3-12(9-14)10-18(23)19-15(5-2-8-25-19)13-6-7-17(22)16(11-13)20(24)26;/h1-9,11,18H,10,23H2,(H2,24,26);1H/t18-;/m0./s1.
What are the key properties of 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride?
5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride has a molecular weight of 389.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 71185261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).