(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

C17H14F4N4O3 — CID 166074063

IUPAC(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1F
InChIInChI=1S/C17H14F4N4O3/c1-25-13(8-23-16(25)27)15(26)24-12-6-10(3-4-11(12)18)28-14-5-2-9(7-22-14)17(19,20)21/h2-7,13H,8H2,1H3,(H,23,27)(H,24,26)/t13-/m0/s1
InChIKeyXNXSDKZDOCFSNI-ZDUSSCGKSA-N
MW398.32 g/mol
LogP2.99
Rot. Bonds4

About (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 166074063) has the molecular formula C17H14F4N4O3 and a molecular weight of 398.32 g/mol. Its IUPAC name is (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID166074063
Molecular FormulaC17H14F4N4O3
Molecular Weight398.32 g/mol
Exact Mass398.10
IUPAC Name(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)NC[C@H]1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1F
InChIInChI=1S/C17H14F4N4O3/c1-25-13(8-23-16(25)27)15(26)24-12-6-10(3-4-11(12)18)28-14-5-2-9(7-22-14)17(19,20)21/h2-7,13H,8H2,1H3,(H,23,27)(H,24,26)/t13-/m0/s1
InChIKeyXNXSDKZDOCFSNI-ZDUSSCGKSA-N
XLogP2.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074010
N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074005
3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide
CID 166073506
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
1,3-dimethyl-4,6-dioxo-N-[2-propan-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxamide
CID 14053377
6-oxo-N-[5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-7-yl]piperidine-3-carboxamide
CID 166073723
N-[2-fluoro-5-[4-(trifluoromethoxy)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073681
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
4-hydroxy-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119878540
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 166074063) is (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is CN1C(=O)NC[C@H]1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cn2)ccc1F.
What is the InChIKey of (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is XNXSDKZDOCFSNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H14F4N4O3/c1-25-13(8-23-16(25)27)15(26)24-12-6-10(3-4-11(12)18)28-14-5-2-9(7-22-14)17(19,20)21/h2-7,13H,8H2,1H3,(H,23,27)(H,24,26)/t13-/m0/s1.
What are the key properties of (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 398.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166074063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).