N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide

C10H11ClF2N2O2 — CID 103213848

IUPACN-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1cccc(Cl)n1
InChIInChI=1S/C10H11ClF2N2O2/c11-7-2-1-3-9(14-7)15-10(16)4-5-17-6-8(12)13/h1-3,8H,4-6H2,(H,14,15,16)
InChIKeyOQLOKJPIGQAIFA-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.35
Rot. Bonds6

About N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide

N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103213848) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103213848
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC NameN-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide
SMILESO=C(CCOCC(F)F)Nc1cccc(Cl)n1
InChIInChI=1S/C10H11ClF2N2O2/c11-7-2-1-3-9(14-7)15-10(16)4-5-17-6-8(12)13/h1-3,8H,4-6H2,(H,14,15,16)
InChIKeyOQLOKJPIGQAIFA-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 115683234
N-(6-chloro-2-pyridinyl)-2-propoxyacetamide
CID 103739833
5-amino-N-(6-chloro-2-pyridinyl)hexanamide
CID 82853086
3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 103209298
2-chloro-5-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205870
4-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205766
4-chloro-2-[3-(2,2-difluoroethoxy)propanoylamino]benzoic acid
CID 103205775
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103209921
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
3-(2,2-difluoroethoxy)-N-(2-methyl-3-sulfamoylphenyl)propanamide
CID 103211671
N-[[3-(chloromethyl)phenyl]methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103212385
(E)-3-[4-[3-(2,2-difluoroethoxy)propanoylamino]phenyl]prop-2-enoic acid
CID 103205841

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide (CID 103213848) is N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide is O=C(CCOCC(F)F)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is OQLOKJPIGQAIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O2/c11-7-2-1-3-9(14-7)15-10(16)4-5-17-6-8(12)13/h1-3,8H,4-6H2,(H,14,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide?
N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 264.66 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103213848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).