N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide

C25H22F4N2O3 — CID 138609143

IUPACN-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(C(F)(F)F)ccc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cn1
InChIInChI=1S/C25H22F4N2O3/c1-23(2,33)20-11-15(25(27,28)29)3-9-19(20)21-10-4-16(12-30-21)24(13-34-14-24)22(32)31-18-7-5-17(26)6-8-18/h3-12,33H,13-14H2,1-2H3,(H,31,32)
InChIKeyPEEIOCQBTJLMJC-UHFFFAOYSA-N
MW474.45 g/mol
LogP5.04
Rot. Bonds5

About N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide

N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide (PubChem CID 138609143) has the molecular formula C25H22F4N2O3 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
PubChem CID138609143
Molecular FormulaC25H22F4N2O3
Molecular Weight474.45 g/mol
Exact Mass474.16
IUPAC NameN-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
SMILESCC(C)(O)c1cc(C(F)(F)F)ccc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cn1
InChIInChI=1S/C25H22F4N2O3/c1-23(2,33)20-11-15(25(27,28)29)3-9-19(20)21-10-4-16(12-30-21)24(13-34-14-24)22(32)31-18-7-5-17(26)6-8-18/h3-12,33H,13-14H2,1-2H3,(H,31,32)
InChIKeyPEEIOCQBTJLMJC-UHFFFAOYSA-N
XLogP5.04
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609152
N-(4-fluorophenyl)-3-[4-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]phenyl]oxetane-3-carboxamide
CID 138609145
3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609199
3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138631252
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
N-(2,4-difluorophenyl)-3-[5-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]oxetane-3-carboxamide
CID 138609059
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609161
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609149
N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
CID 138609181
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide (CID 138609143) is N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide is CC(C)(O)c1cc(C(F)(F)F)ccc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide?
The InChIKey is PEEIOCQBTJLMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N2O3/c1-23(2,33)20-11-15(25(27,28)29)3-9-19(20)21-10-4-16(12-30-21)24(13-34-14-24)22(32)31-18-7-5-17(26)6-8-18/h3-12,33H,13-14H2,1-2H3,(H,31,32).
What are the key properties of N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide?
N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide has a molecular weight of 474.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide is sourced from PubChem (CID 138609143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).