(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide

C14H17ClF3N3O — CID 143387696

IUPAC(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC1CCCc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H17ClF3N3O/c15-13-20-7-10(14(16,17)18)11(21-13)6-2-4-8-3-1-5-9(8)12(19)22/h7-9H,1-6H2,(H2,19,22)/t8?,9-/m0/s1
InChIKeyNOBXVRDJVZGGEG-GKAPJAKFSA-N
MW335.76 g/mol
LogP3.37
Rot. Bonds5

About (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide

(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide (PubChem CID 143387696) has the molecular formula C14H17ClF3N3O and a molecular weight of 335.76 g/mol. Its IUPAC name is (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide
PubChem CID143387696
Molecular FormulaC14H17ClF3N3O
Molecular Weight335.76 g/mol
Exact Mass335.10
IUPAC Name(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCCC1CCCc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H17ClF3N3O/c15-13-20-7-10(14(16,17)18)11(21-13)6-2-4-8-3-1-5-9(8)12(19)22/h7-9H,1-6H2,(H2,19,22)/t8?,9-/m0/s1
InChIKeyNOBXVRDJVZGGEG-GKAPJAKFSA-N
XLogP3.37
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 58464662
trans-(1S,2S)-2-[[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464678
(1R,2S,3R,4S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 58531924
5-(3,3,4,4-Tetramethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 70660452
4-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]butan-2-one
CID 89814913
4-[2-Chloro-4-(trifluoromethyl)pyrimidin-5-yl]butanal
CID 89816051
(3S)-3-(2-chloro-5-fluoropyrimidin-4-yl)-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420585
2-chloro-4-methyl-5-(trifluoromethyl)pyrimidine;(2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143387789
(7S)-7-(2-chloro-5-fluoropyrimidin-4-yl)-2-azaspiro[4.5]decan-3-one
CID 150001936
2-[(3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone
CID 160154528
(1S)-2-[3-(2-chloro-5-fluoropyrimidin-4-yl)propyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 163452570
2-(2-Chloro-5-fluoropyrimidin-4-yl)-3-methylbutanamide
CID 166756913

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide (CID 143387696) is (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide is NC(=O)[C@H]1CCCC1CCCc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide?
The InChIKey is NOBXVRDJVZGGEG-GKAPJAKFSA-N. The full InChI is InChI=1S/C14H17ClF3N3O/c15-13-20-7-10(14(16,17)18)11(21-13)6-2-4-8-3-1-5-9(8)12(19)22/h7-9H,1-6H2,(H2,19,22)/t8?,9-/m0/s1.
What are the key properties of (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide?
(1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide has a molecular weight of 335.76 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 143387696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).