trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide

C15H19ClF3N3O — CID 58464662

IUPACtrans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCC[C@H]1Cc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C15H19ClF3N3O/c1-8(2)21-13(23)10-5-3-4-9(10)6-12-11(15(17,18)19)7-20-14(16)22-12/h7-10H,3-6H2,1-2H3,(H,21,23)/t9-,10-/m0/s1
InChIKeyILHDHVXTTUUSME-UWVGGRQHSA-N
MW349.78 g/mol
LogP3.63
Rot. Bonds4

About trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide

trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 58464662) has the molecular formula C15H19ClF3N3O and a molecular weight of 349.78 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID58464662
Molecular FormulaC15H19ClF3N3O
Molecular Weight349.78 g/mol
Exact Mass349.12
IUPAC Nametrans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1CCC[C@H]1Cc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C15H19ClF3N3O/c1-8(2)21-13(23)10-5-3-4-9(10)6-12-11(15(17,18)19)7-20-14(16)22-12/h7-10H,3-6H2,1-2H3,(H,21,23)/t9-,10-/m0/s1
InChIKeyILHDHVXTTUUSME-UWVGGRQHSA-N
XLogP3.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide (CID 58464662) is trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide is CC(C)NC(=O)[C@H]1CCC[C@H]1Cc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is ILHDHVXTTUUSME-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H19ClF3N3O/c1-8(2)21-13(23)10-5-3-4-9(10)6-12-11(15(17,18)19)7-20-14(16)22-12/h7-10H,3-6H2,1-2H3,(H,21,23)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide?
trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 58464662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).