2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

C19H17F6N3O — CID 146302539

IUPAC2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)13-3-1-12(2-4-13)9-17(29)27-14-7-8-28(11-14)15-5-6-16(26-10-15)19(23,24)25/h1-6,10,14H,7-9,11H2,(H,27,29)
InChIKeyHMYLNFCIRAXPMH-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.06
Rot. Bonds4

About 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide

2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 146302539) has the molecular formula C19H17F6N3O and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID146302539
Molecular FormulaC19H17F6N3O
Molecular Weight417.35 g/mol
Exact Mass417.13
IUPAC Name2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)13-3-1-12(2-4-13)9-17(29)27-14-7-8-28(11-14)15-5-6-16(26-10-15)19(23,24)25/h1-6,10,14H,7-9,11H2,(H,27,29)
InChIKeyHMYLNFCIRAXPMH-UHFFFAOYSA-N
XLogP4.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302708
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302542
2-(1-methylindol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302783
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302608
2-(4-cyclopropylphenyl)-N-[(7R)-5-[6-(trifluoromethyl)-3-pyridinyl]-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 153395234
N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
CID 165043198
2-pyridin-2-yl-N-[(3R)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 58834511
2-(4-propan-2-ylsulfanylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142641
[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 169180430
(2S)-2-hydroxy-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 97337783
N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 146302602
2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177185716

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide (CID 146302539) is 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NC1CCN(c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HMYLNFCIRAXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N3O/c20-18(21,22)13-3-1-12(2-4-13)9-17(29)27-14-7-8-28(11-14)15-5-6-16(26-10-15)19(23,24)25/h1-6,10,14H,7-9,11H2,(H,27,29).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide?
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 417.35 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 146302539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).