N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

C12H15ClF3N3O2 — CID 111022260

IUPACN-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESO=C(CN(CCCO)CC(F)(F)F)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H15ClF3N3O2/c13-9-2-3-10(17-6-9)18-11(21)7-19(4-1-5-20)8-12(14,15)16/h2-3,6,20H,1,4-5,7-8H2,(H,17,18,21)
InChIKeyIVDSKLQPLHUINK-UHFFFAOYSA-N
MW325.72 g/mol
LogP1.92
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide

N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 111022260) has the molecular formula C12H15ClF3N3O2 and a molecular weight of 325.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID111022260
Molecular FormulaC12H15ClF3N3O2
Molecular Weight325.72 g/mol
Exact Mass325.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESO=C(CN(CCCO)CC(F)(F)F)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H15ClF3N3O2/c13-9-2-3-10(17-6-9)18-11(21)7-19(4-1-5-20)8-12(14,15)16/h2-3,6,20H,1,4-5,7-8H2,(H,17,18,21)
InChIKeyIVDSKLQPLHUINK-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.72
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110881682
N-(4-ethylphenyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide
CID 111109987
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111022254
N-(5-chloro-2-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86997957
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109909
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-N'-pyridin-2-ylacetohydrazide
CID 107485749
3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 78844370
N-(5-chloro-2-pyridinyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47118067
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide (CID 111022260) is N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is O=C(CN(CCCO)CC(F)(F)F)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is IVDSKLQPLHUINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O2/c13-9-2-3-10(17-6-9)18-11(21)7-19(4-1-5-20)8-12(14,15)16/h2-3,6,20H,1,4-5,7-8H2,(H,17,18,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 325.72 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 111022260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).