N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide

C13H16ClF3N2O — CID 1471997

IUPACN-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C)NC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-12(2,3)19-11(20)5-4-10-9(14)6-8(7-18-10)13(15,16)17/h6-7H,4-5H2,1-3H3,(H,19,20)
InChIKeyGIJCRDCGWWDNMG-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.60
Rot. Bonds3

About N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide

N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 1471997) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID1471997
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC NameN-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C)NC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-12(2,3)19-11(20)5-4-10-9(14)6-8(7-18-10)13(15,16)17/h6-7H,4-5H2,1-3H3,(H,19,20)
InChIKeyGIJCRDCGWWDNMG-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Fluopyram
CID 11158353
N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
CID 138490227
N-(3-chloro-4-methylphenyl)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetamide
CID 1472407
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
N-(4-Chlorophenyl)-2-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)propanamide
CID 2766744
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 2768205
4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3,5-isoxazolediol
CID 1473736
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,N'-bis[(4-fluorophenyl)methyl]propanediamide
CID 1481317
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enal
CID 1483149
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2-pyridinyl)ethyl]acetamide
CID 3294185
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-fluorophenyl)acetamide
CID 3299281
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-propynyl)propanamide
CID 3478260

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 1471997) is N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(C)NC(=O)CCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is GIJCRDCGWWDNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-12(2,3)19-11(20)5-4-10-9(14)6-8(7-18-10)13(15,16)17/h6-7H,4-5H2,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 308.73 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 1471997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).