N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide

C23H25F4N5O2 — CID 170241702

IUPACN-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
SMILESCCC(Oc1ccc(C(F)(F)F)cn1)C(CC)N(CC)C(=O)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C23H25F4N5O2/c1-4-18(20(5-2)34-21-10-7-15(14-28-21)23(25,26)27)31(6-3)22(33)17-13-16(24)8-9-19(17)32-29-11-12-30-32/h7-14,18,20H,4-6H2,1-3H3
InChIKeySEAQELZMGLLLJT-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.92
Rot. Bonds9

About N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide

N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide (PubChem CID 170241702) has the molecular formula C23H25F4N5O2 and a molecular weight of 479.48 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
PubChem CID170241702
Molecular FormulaC23H25F4N5O2
Molecular Weight479.48 g/mol
Exact Mass479.19
IUPAC NameN-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide
SMILESCCC(Oc1ccc(C(F)(F)F)cn1)C(CC)N(CC)C(=O)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C23H25F4N5O2/c1-4-18(20(5-2)34-21-10-7-15(14-28-21)23(25,26)27)31(6-3)22(33)17-13-16(24)8-9-19(17)32-29-11-12-30-32/h7-14,18,20H,4-6H2,1-3H3
InChIKeySEAQELZMGLLLJT-UHFFFAOYSA-N
XLogP4.92
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-fluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]benzamide
CID 146589961
[(2R)-3,3-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 118865510
[5-fluoro-2-(triazol-2-yl)phenyl]-[3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939701
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
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-ethyl-4,5-difluoro-2-(triazol-2-yl)-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]oxypropan-2-yl]benzamide
CID 146578001
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-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-methyl-2-(triazol-2-yl)benzamide
CID 146576877
N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-5-methyl-2-(triazol-2-yl)benzamide
CID 160569720
[2-ethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 123314919
N-ethyl-5-methyl-2-pyrazol-1-yl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
CID 162592429
N-ethyl-4-fluoro-N-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]-2-pyrimidin-2-ylbenzamide
CID 139504593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide?
The IUPAC name of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide (CID 170241702) is N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide.
What is the SMILES notation for N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide?
The canonical SMILES for N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide is CCC(Oc1ccc(C(F)(F)F)cn1)C(CC)N(CC)C(=O)c1cc(F)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide?
The InChIKey is SEAQELZMGLLLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F4N5O2/c1-4-18(20(5-2)34-21-10-7-15(14-28-21)23(25,26)27)31(6-3)22(33)17-13-16(24)8-9-19(17)32-29-11-12-30-32/h7-14,18,20H,4-6H2,1-3H3.
What are the key properties of N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide?
N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide has a molecular weight of 479.48 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-(triazol-2-yl)-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]benzamide is sourced from PubChem (CID 170241702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).