N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide

C26H21F8N3O3 — CID 170716540

IUPACN-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide
SMILESCc1nc(-c2c(C(F)(F)F)ccc(CNC(=O)C3CC(OCc4cccc(C(F)(F)F)c4)C3)c2F)[nH]c(=O)c1F
InChIInChI=1S/C26H21F8N3O3/c1-12-20(27)24(39)37-22(36-12)19-18(26(32,33)34)6-5-14(21(19)28)10-35-23(38)15-8-17(9-15)40-11-13-3-2-4-16(7-13)25(29,30)31/h2-7,15,17H,8-11H2,1H3,(H,35,38)(H,36,37,39)
InChIKeyCZTYQYCZZAJMRL-UHFFFAOYSA-N
MW575.46 g/mol
LogP5.67
Rot. Bonds7

About N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide

N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide (PubChem CID 170716540) has the molecular formula C26H21F8N3O3 and a molecular weight of 575.46 g/mol. Its IUPAC name is N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide
PubChem CID170716540
Molecular FormulaC26H21F8N3O3
Molecular Weight575.46 g/mol
Exact Mass575.15
IUPAC NameN-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide
SMILESCc1nc(-c2c(C(F)(F)F)ccc(CNC(=O)C3CC(OCc4cccc(C(F)(F)F)c4)C3)c2F)[nH]c(=O)c1F
InChIInChI=1S/C26H21F8N3O3/c1-12-20(27)24(39)37-22(36-12)19-18(26(32,33)34)6-5-14(21(19)28)10-35-23(38)15-8-17(9-15)40-11-13-3-2-4-16(7-13)25(29,30)31/h2-7,15,17H,8-11H2,1H3,(H,35,38)(H,36,37,39)
InChIKeyCZTYQYCZZAJMRL-UHFFFAOYSA-N
XLogP5.67
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.46
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 170716654
3-[(3-chlorophenyl)methoxy]-N-[[3-[4-(difluoromethyl)-6-oxo-1H-pyrimidin-2-yl]-2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 170716561
3-[(2,4-difluorophenyl)methoxy]-N-[[2-fluoro-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 170716688
N-[[3-[4-(difluoromethyl)-6-oxo-1H-pyrimidin-2-yl]-2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-[(3,4-difluorophenyl)methoxy]cyclobutane-1-carboxamide
CID 170716658
N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-3-[[2-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide
CID 170716490
3-[(3-chloro-5-fluorophenyl)methoxy]-N-[[3-[4-(difluoromethyl)-6-oxo-1H-pyrimidin-2-yl]-2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 170716583
3-[(2-chlorophenyl)methoxy]-N-[[3-[4-(difluoromethyl)-6-oxo-1H-pyrimidin-2-yl]-2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 170716639
1-(3,4-dichlorophenyl)-N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 175990422
4-[(2,4-difluorophenyl)methoxy]-N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 170716637
1-(4-chloro-3-fluorophenyl)-N-[[2-fluoro-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 175990368
(3aS,6aR)-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 135388155
N-[[2-fluoro-3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]-4-(trifluoromethyl)phenyl]methyl]-1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 175990415

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide?
The IUPAC name of N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide (CID 170716540) is N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide.
What is the SMILES notation for N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide?
The canonical SMILES for N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide is Cc1nc(-c2c(C(F)(F)F)ccc(CNC(=O)C3CC(OCc4cccc(C(F)(F)F)c4)C3)c2F)[nH]c(=O)c1F.
What is the InChIKey of N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide?
The InChIKey is CZTYQYCZZAJMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F8N3O3/c1-12-20(27)24(39)37-22(36-12)19-18(26(32,33)34)6-5-14(21(19)28)10-35-23(38)15-8-17(9-15)40-11-13-3-2-4-16(7-13)25(29,30)31/h2-7,15,17H,8-11H2,1H3,(H,35,38)(H,36,37,39).
What are the key properties of N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide?
N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide has a molecular weight of 575.46 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-(trifluoromethyl)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutane-1-carboxamide is sourced from PubChem (CID 170716540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).