1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

C14H15ClF3N3O2 — CID 110208637

IUPAC1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3N3O2/c1-8(22)21-4-2-3-12(21)13(23)20-7-11-10(15)5-9(6-19-11)14(16,17)18/h5-6,12H,2-4,7H2,1H3,(H,20,23)
InChIKeyYYVCNIKDWYIXJS-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.38
Rot. Bonds3

About 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide

1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 110208637) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID110208637
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC Name1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3N3O2/c1-8(22)21-4-2-3-12(21)13(23)20-7-11-10(15)5-9(6-19-11)14(16,17)18/h5-6,12H,2-4,7H2,1H3,(H,20,23)
InChIKeyYYVCNIKDWYIXJS-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide
CID 89152139
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884
(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124979644
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 71627819
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371778
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 110208637) is 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is YYVCNIKDWYIXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c1-8(22)21-4-2-3-12(21)13(23)20-7-11-10(15)5-9(6-19-11)14(16,17)18/h5-6,12H,2-4,7H2,1H3,(H,20,23).
What are the key properties of 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 349.74 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110208637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).