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

C18H16F4N4O4 — CID 166074010

IUPAC(4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCOc1cc(F)c(Oc2ccc(C(F)(F)F)cn2)cc1NC(=O)[C@@H]1CNC(=O)N1C
InChIInChI=1S/C18H16F4N4O4/c1-26-12(8-24-17(26)28)16(27)25-11-6-13(10(19)5-14(11)29-2)30-15-4-3-9(7-23-15)18(20,21)22/h3-7,12H,8H2,1-2H3,(H,24,28)(H,25,27)/t12-/m0/s1
InChIKeyMYMTUNXQENFOHA-LBPRGKRZSA-N
MW428.34 g/mol
LogP3.00
Rot. Bonds5

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

(4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 166074010) has the molecular formula C18H16F4N4O4 and a molecular weight of 428.34 g/mol. Its IUPAC name is (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID166074010
Molecular FormulaC18H16F4N4O4
Molecular Weight428.34 g/mol
Exact Mass428.11
IUPAC Name(4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCOc1cc(F)c(Oc2ccc(C(F)(F)F)cn2)cc1NC(=O)[C@@H]1CNC(=O)N1C
InChIInChI=1S/C18H16F4N4O4/c1-26-12(8-24-17(26)28)16(27)25-11-6-13(10(19)5-14(11)29-2)30-15-4-3-9(7-23-15)18(20,21)22/h3-7,12H,8H2,1-2H3,(H,24,28)(H,25,27)/t12-/m0/s1
InChIKeyMYMTUNXQENFOHA-LBPRGKRZSA-N
XLogP3.00
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074005
(4S)-N-[2-fluoro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 166074063
3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide
CID 166073506
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]morpholine-3-carboxamide
CID 119887677
N-[2-methoxy-4-(trifluoromethyl)phenyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133070
(2S)-N-[5-[(5-chloro-2-pyridinyl)oxy]-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074134
N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 57224277
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
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

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide (CID 166074010) is (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is COc1cc(F)c(Oc2ccc(C(F)(F)F)cn2)cc1NC(=O)[C@@H]1CNC(=O)N1C.
What is the InChIKey of (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is MYMTUNXQENFOHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16F4N4O4/c1-26-12(8-24-17(26)28)16(27)25-11-6-13(10(19)5-14(11)29-2)30-15-4-3-9(7-23-15)18(20,21)22/h3-7,12H,8H2,1-2H3,(H,24,28)(H,25,27)/t12-/m0/s1.
What are the key properties of (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 428.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[4-fluoro-2-methoxy-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166074010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).