(4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide

C18H15ClF4N4O3 — CID 162509584

IUPAC(4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(COc2ccc(C(F)(F)F)nc2)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C18H15ClF4N4O3/c19-11-5-9(1-3-12(11)20)14(26-16(28)13-7-25-17(29)27-13)8-30-10-2-4-15(24-6-10)18(21,22)23/h1-6,13-14H,7-8H2,(H,26,28)(H2,25,27,29)/t13-,14?/m0/s1
InChIKeySALLTPPGVFKTEZ-LSLKUGRBSA-N
MW446.79 g/mol
LogP2.81
Rot. Bonds6

About (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509584) has the molecular formula C18H15ClF4N4O3 and a molecular weight of 446.79 g/mol. Its IUPAC name is (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509584
Molecular FormulaC18H15ClF4N4O3
Molecular Weight446.79 g/mol
Exact Mass446.08
IUPAC Name(4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(COc2ccc(C(F)(F)F)nc2)c2ccc(F)c(Cl)c2)N1
InChIInChI=1S/C18H15ClF4N4O3/c19-11-5-9(1-3-12(11)20)14(26-16(28)13-7-25-17(29)27-13)8-30-10-2-4-15(24-6-10)18(21,22)23/h1-6,13-14H,7-8H2,(H,26,28)(H2,25,27,29)/t13-,14?/m0/s1
InChIKeySALLTPPGVFKTEZ-LSLKUGRBSA-N
XLogP2.81
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.79
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide (CID 162509584) is (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(COc2ccc(C(F)(F)F)nc2)c2ccc(F)c(Cl)c2)N1.
What is the InChIKey of (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is SALLTPPGVFKTEZ-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H15ClF4N4O3/c19-11-5-9(1-3-12(11)20)14(26-16(28)13-7-25-17(29)27-13)8-30-10-2-4-15(24-6-10)18(21,22)23/h1-6,13-14H,7-8H2,(H,26,28)(H2,25,27,29)/t13-,14?/m0/s1.
What are the key properties of (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 446.79 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-(3-chloro-4-fluorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]ethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).