(4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C18H14ClF4N3O2 — CID 162520874

IUPAC(4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(C(F)(F)F)c2)N1
InChIInChI=1S/C18H14ClF4N3O2/c19-11-4-1-9(2-5-11)15(26-16(27)14-8-24-17(28)25-14)10-3-6-13(20)12(7-10)18(21,22)23/h1-7,14-15H,8H2,(H,26,27)(H2,24,25,28)/t14-,15?/m0/s1
InChIKeyOKUOBJLNMMZBMG-MLCCFXAWSA-N
MW415.77 g/mol
LogP3.38
Rot. Bonds4

About (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520874) has the molecular formula C18H14ClF4N3O2 and a molecular weight of 415.77 g/mol. Its IUPAC name is (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520874
Molecular FormulaC18H14ClF4N3O2
Molecular Weight415.77 g/mol
Exact Mass415.07
IUPAC Name(4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(C(F)(F)F)c2)N1
InChIInChI=1S/C18H14ClF4N3O2/c19-11-4-1-9(2-5-11)15(26-16(27)14-8-24-17(28)25-14)10-3-6-13(20)12(7-10)18(21,22)23/h1-7,14-15H,8H2,(H,26,27)(H2,24,25,28)/t14-,15?/m0/s1
InChIKeyOKUOBJLNMMZBMG-MLCCFXAWSA-N
XLogP3.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.77
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
N-{[1-(4-Chloro-benzyl)-pyrrolidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
CID 9889422
CCR2 antagonist 4
CID 44453327
(S)-1-(4-chlorobenzyl)-3-[N-{3(trifluoromethyl)benzoyl}glycyl]aminopyrrolidine
CID 69212799
(3S)-N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899007
(3S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899084
US20230312528, Example 61
CID 162509632
US20230312528, Example 17A
CID 162520837
N-[2-(4-chlorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 3612505
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1-imidazolidinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550157
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9551189
N-[2-(4-Chlorophenyl)ethyl]-2-{3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-YL}acetamide
CID 15990364

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520874) is (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(C(F)(F)F)c2)N1.
What is the InChIKey of (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is OKUOBJLNMMZBMG-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H14ClF4N3O2/c19-11-4-1-9(2-5-11)15(26-16(27)14-8-24-17(28)25-14)10-3-6-13(20)12(7-10)18(21,22)23/h1-7,14-15H,8H2,(H,26,27)(H2,24,25,28)/t14-,15?/m0/s1.
What are the key properties of (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 415.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(4-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).