(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide

C21H20F3N3O5 — CID 166073463

IUPAC(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)[C@@H]1CN(C)C(=O)N1C(C)=O
InChIInChI=1S/C21H20F3N3O5/c1-12(28)27-17(11-26(2)20(27)30)19(29)25-16-10-15(8-9-18(16)31-3)32-14-6-4-13(5-7-14)21(22,23)24/h4-10,17H,11H2,1-3H3,(H,25,29)/t17-/m0/s1
InChIKeyPYGNVMPFHGIODS-KRWDZBQOSA-N
MW451.40 g/mol
LogP3.73
Rot. Bonds5

About (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 166073463) has the molecular formula C21H20F3N3O5 and a molecular weight of 451.40 g/mol. Its IUPAC name is (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID166073463
Molecular FormulaC21H20F3N3O5
Molecular Weight451.40 g/mol
Exact Mass451.14
IUPAC Name(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)[C@@H]1CN(C)C(=O)N1C(C)=O
InChIInChI=1S/C21H20F3N3O5/c1-12(28)27-17(11-26(2)20(27)30)19(29)25-16-10-15(8-9-18(16)31-3)32-14-6-4-13(5-7-14)21(22,23)24/h4-10,17H,11H2,1-3H3,(H,25,29)/t17-/m0/s1
InChIKeyPYGNVMPFHGIODS-KRWDZBQOSA-N
XLogP3.73
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-2-methyl-1,1-dioxothiazetidine-3-carboxamide
CID 166074183
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-oxo-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 166073765
N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-5-sulfanylidenepyrrolidine-2-carboxamide
CID 166073849
benzyl (2S,4R)-4-hydroxy-2-[[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 166073537
N-[2-hydroxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166074157
(2S)-N-[2-fluoro-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073744
(2S)-N-[2-methoxy-5-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073828
N-[5-(3-fluoro-4-methoxyphenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073875
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide
CID 166073506
(2S)-N-[5-(3-chloro-4-cyanophenoxy)-2-methoxyphenyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 166073787
N-[5-(3,4-difluorophenoxy)-2-methoxyphenyl]-5-oxopyrrolidine-2-carboxamide
CID 166073714

Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 166073463) is (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide is COc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1NC(=O)[C@@H]1CN(C)C(=O)N1C(C)=O.
What is the InChIKey of (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is PYGNVMPFHGIODS-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20F3N3O5/c1-12(28)27-17(11-26(2)20(27)30)19(29)25-16-10-15(8-9-18(16)31-3)32-14-6-4-13(5-7-14)21(22,23)24/h4-10,17H,11H2,1-3H3,(H,25,29)/t17-/m0/s1.
What are the key properties of (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 451.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-N-[2-methoxy-5-[4-(trifluoromethyl)phenoxy]phenyl]-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166073463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).