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

C18H13F7N4O3 — CID 175417175

IUPACN-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(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-/m1/s1
InChIKeyGYAAKIKKAKLXDK-ZGTCLIOFSA-N
MW466.31 g/mol
LogP3.03
Rot. Bonds5

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

N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 175417175) has the molecular formula C18H13F7N4O3 and a molecular weight of 466.31 g/mol. Its IUPAC name is N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID175417175
Molecular FormulaC18H13F7N4O3
Molecular Weight466.31 g/mol
Exact Mass466.09
IUPAC NameN-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(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-/m1/s1
InChIKeyGYAAKIKKAKLXDK-ZGTCLIOFSA-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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Related Compounds

(4S)-N-[(S)-(5-chloro-6-cyclopropyl-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520881
(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063485
(4S)-N-[(R)-(4-chloro-3-cyanophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520786
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520836
N-[(R)-[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417158
(4S)-N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(trifluoromethoxy)-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520879
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
(3S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 167436537
2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide
CID 166905151
N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417229
2-oxo-N-[phenyl(pyridin-2-yl)methyl]imidazolidine-4-carboxamide
CID 167790880
(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520883

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 175417175) is N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(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 N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GYAAKIKKAKLXDK-ZGTCLIOFSA-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-/m1/s1.
What are the key properties of N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
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 N-[(R)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 175417175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).