(4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C18H13F7N4O3 — CID 162520851

IUPAC(4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc(F)c(C(F)(F)F)n2)N1
InChIInChI=1S/C18H13F7N4O3/c19-10-5-6-11(27-14(10)17(20,21)22)13(29-15(30)12-7-26-16(31)28-12)8-1-3-9(4-2-8)32-18(23,24)25/h1-6,12-13H,7H2,(H,29,30)(H2,26,28,31)/t12-,13+/m0/s1
InChIKeyGYAAKIKKAKLXDK-QWHCGFSZSA-N
MW466.31 g/mol
LogP3.03
Rot. Bonds5

About (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520851) has the molecular formula C18H13F7N4O3 and a molecular weight of 466.31 g/mol. Its IUPAC name is (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520851
Molecular FormulaC18H13F7N4O3
Molecular Weight466.31 g/mol
Exact Mass466.09
IUPAC Name(4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc(F)c(C(F)(F)F)n2)N1
InChIInChI=1S/C18H13F7N4O3/c19-10-5-6-11(27-14(10)17(20,21)22)13(29-15(30)12-7-26-16(31)28-12)8-1-3-9(4-2-8)32-18(23,24)25/h1-6,12-13H,7H2,(H,29,30)(H2,26,28,31)/t12-,13+/m0/s1
InChIKeyGYAAKIKKAKLXDK-QWHCGFSZSA-N
XLogP3.03
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520851) is (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc(F)c(C(F)(F)F)n2)N1.
What is the InChIKey of (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GYAAKIKKAKLXDK-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H13F7N4O3/c19-10-5-6-11(27-14(10)17(20,21)22)13(29-15(30)12-7-26-16(31)28-12)8-1-3-9(4-2-8)32-18(23,24)25/h1-6,12-13H,7H2,(H,29,30)(H2,26,28,31)/t12-,13+/m0/s1.
What are the key properties of (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 466.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).