N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide

C19H18F4N6O2 — CID 146589961

IUPACN-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
SMILESCCN(C(=O)c1ccc(F)cc1-n1nccn1)C(C)COc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F4N6O2/c1-3-28(12(2)11-31-18-24-9-13(10-25-18)19(21,22)23)17(30)15-5-4-14(20)8-16(15)29-26-6-7-27-29/h4-10,12H,3,11H2,1-2H3
InChIKeyNZERATQRTRBJDE-UHFFFAOYSA-N
MW438.39 g/mol
LogP3.14
Rot. Bonds7

About N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide

N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide (PubChem CID 146589961) has the molecular formula C19H18F4N6O2 and a molecular weight of 438.39 g/mol. Its IUPAC name is N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
PubChem CID146589961
Molecular FormulaC19H18F4N6O2
Molecular Weight438.39 g/mol
Exact Mass438.14
IUPAC NameN-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
SMILESCCN(C(=O)c1ccc(F)cc1-n1nccn1)C(C)COc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C19H18F4N6O2/c1-3-28(12(2)11-31-18-24-9-13(10-25-18)19(21,22)23)17(30)15-5-4-14(20)8-16(15)29-26-6-7-27-29/h4-10,12H,3,11H2,1-2H3
InChIKeyNZERATQRTRBJDE-UHFFFAOYSA-N
XLogP3.14
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 161459989
4-chloro-N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 146577187
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-3-methyl-2-(triazol-2-yl)benzamide
CID 157107935
N-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 146578001
N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-methyl-2-(triazol-2-yl)benzamide
CID 146576877
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
CID 170241702
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]pyridine-3-carboxamide
CID 146589121
N-[(2S)-1-[[5-[difluoro(phosphanyl)methyl]-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3,4-dimethyl-2-(triazol-2-yl)benzamide
CID 146577185
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
CID 160867836
N-ethyl-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide
CID 159703204
1-[4-fluoro-2-(triazol-2-yl)phenyl]ethanone
CID 90400618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide?
The IUPAC name of N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide (CID 146589961) is N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide.
What is the SMILES notation for N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide?
The canonical SMILES for N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide is CCN(C(=O)c1ccc(F)cc1-n1nccn1)C(C)COc1ncc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide?
The InChIKey is NZERATQRTRBJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O2/c1-3-28(12(2)11-31-18-24-9-13(10-25-18)19(21,22)23)17(30)15-5-4-14(20)8-16(15)29-26-6-7-27-29/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide?
N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide has a molecular weight of 438.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide is sourced from PubChem (CID 146589961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).