2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide

C13H17ClF3N3O — CID 102715690

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H17ClF3N3O/c1-4-20(7-12(21)18-8(2)3)11-6-9(13(15,16)17)5-10(14)19-11/h5-6,8H,4,7H2,1-3H3,(H,18,21)
InChIKeyPTOLSKNNPSGFML-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.10
Rot. Bonds5

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 102715690) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID102715690
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H17ClF3N3O/c1-4-20(7-12(21)18-8(2)3)11-6-9(13(15,16)17)5-10(14)19-11/h5-6,8H,4,7H2,1-3H3,(H,18,21)
InChIKeyPTOLSKNNPSGFML-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 106767496
N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715332
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715736
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
6-(diethylamino)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 67453556
6-chloro-N-ethyl-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716058
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 106767345
2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide (CID 102715690) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is PTOLSKNNPSGFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-4-20(7-12(21)18-8(2)3)11-6-9(13(15,16)17)5-10(14)19-11/h5-6,8H,4,7H2,1-3H3,(H,18,21).
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 323.75 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 102715690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).