N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide

C18H14F7N3O4 — CID 41135299

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F7N3O4/c19-12-7-27(14-2-1-3-32-14)16(31)28(15(12)30)8-13(29)26-11-5-9(17(20,21)22)4-10(6-11)18(23,24)25/h4-7,14H,1-3,8H2,(H,26,29)/t14-/m0/s1
InChIKeyOTXBPDMWNNSDCX-AWEZNQCLSA-N
MW469.31 g/mol
LogP3.13
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide (PubChem CID 41135299) has the molecular formula C18H14F7N3O4 and a molecular weight of 469.31 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide
PubChem CID41135299
Molecular FormulaC18H14F7N3O4
Molecular Weight469.31 g/mol
Exact Mass469.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide
SMILESO=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H14F7N3O4/c19-12-7-27(14-2-1-3-32-14)16(31)28(15(12)30)8-13(29)26-11-5-9(17(20,21)22)4-10(6-11)18(23,24)25/h4-7,14H,1-3,8H2,(H,26,29)/t14-/m0/s1
InChIKeyOTXBPDMWNNSDCX-AWEZNQCLSA-N
XLogP3.13
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
CID 17392303
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907297
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2459919
1-[3,5-bis(trifluoromethyl)phenyl]-3-(oxolan-2-ylmethyl)thiourea
CID 2957218
N-[4-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]phenyl]-2,4-dihydroxy-N-methyl-5-propan-2-ylbenzamide
CID 162644518
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide
CID 120605441
(6-oxo-1H-pyridin-2-yl) 3-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidine-1-carbonyl]benzoate
CID 22150232
2-(2-aminoethylsulfanyl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 84552453
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)acetamide;hydrochloride
CID 120605440
N-cyclopentyl-5-[2,4-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinazolin-3-yl]pentanamide
CID 22429724
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide (CID 41135299) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide is O=C(Cn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide?
The InChIKey is OTXBPDMWNNSDCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14F7N3O4/c19-12-7-27(14-2-1-3-32-14)16(31)28(15(12)30)8-13(29)26-11-5-9(17(20,21)22)4-10(6-11)18(23,24)25/h4-7,14H,1-3,8H2,(H,26,29)/t14-/m0/s1.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide has a molecular weight of 469.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 41135299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).