2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol

C17H19ClF2N2O — CID 25115702

IUPAC2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol
SMILESCC(CCc1ccc(Cl)nc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C17H19ClF2N2O/c1-11(2-3-12-4-7-17(18)22-9-12)21-10-16(23)14-6-5-13(19)8-15(14)20/h4-9,11,16,21,23H,2-3,10H2,1H3
InChIKeyRFURXDCXSRMGHR-UHFFFAOYSA-N
MW340.80 g/mol
LogP3.66
Rot. Bonds7

About 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol

2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 25115702) has the molecular formula C17H19ClF2N2O and a molecular weight of 340.80 g/mol. Its IUPAC name is 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol
PubChem CID25115702
Molecular FormulaC17H19ClF2N2O
Molecular Weight340.80 g/mol
Exact Mass340.12
IUPAC Name2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol
SMILESCC(CCc1ccc(Cl)nc1)NCC(O)c1ccc(F)cc1F
InChIInChI=1S/C17H19ClF2N2O/c1-11(2-3-12-4-7-17(18)22-9-12)21-10-16(23)14-6-5-13(19)8-15(14)20/h4-9,11,16,21,23H,2-3,10H2,1H3
InChIKeyRFURXDCXSRMGHR-UHFFFAOYSA-N
XLogP3.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.80
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol 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 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol (CID 25115702) is 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol is CC(CCc1ccc(Cl)nc1)NCC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is RFURXDCXSRMGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N2O/c1-11(2-3-12-4-7-17(18)22-9-12)21-10-16(23)14-6-5-13(19)8-15(14)20/h4-9,11,16,21,23H,2-3,10H2,1H3.
What are the key properties of 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol?
2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 340.80 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-3-pyridinyl)butan-2-ylamino]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 25115702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).