(4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C19H14ClF3N4O2 — CID 162520878

IUPAC(4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESN#Cc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H14ClF3N4O2/c20-14-6-5-12(7-13(14)19(21,22)23)16(11-3-1-10(8-24)2-4-11)27-17(28)15-9-25-18(29)26-15/h1-7,15-16H,9H2,(H,27,28)(H2,25,26,29)/t15-,16+/m0/s1
InChIKeyBFQGCUCWHITFCS-JKSUJKDBSA-N
MW422.79 g/mol
LogP3.12
Rot. Bonds4

About (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520878) has the molecular formula C19H14ClF3N4O2 and a molecular weight of 422.79 g/mol. Its IUPAC name is (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520878
Molecular FormulaC19H14ClF3N4O2
Molecular Weight422.79 g/mol
Exact Mass422.08
IUPAC Name(4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESN#Cc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H14ClF3N4O2/c20-14-6-5-12(7-13(14)19(21,22)23)16(11-3-1-10(8-24)2-4-11)27-17(28)15-9-25-18(29)26-15/h1-7,15-16H,9H2,(H,27,28)(H2,25,26,29)/t15-,16+/m0/s1
InChIKeyBFQGCUCWHITFCS-JKSUJKDBSA-N
XLogP3.12
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
US10710967, Example 223
CID 155883440
US20230312528, Example 61
CID 162509632
US20230312528, Example 17A
CID 162520837
US11802122, Example 17A
CID 162520874
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide
CID 52942125
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 52944504
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71450788
(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71450794
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 24970122
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
CID 25097732
US11583538, Example 64
CID 156035156

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520878) is (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is N#Cc1ccc([C@@H](NC(=O)[C@@H]2CNC(=O)N2)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is BFQGCUCWHITFCS-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2/c20-14-6-5-12(7-13(14)19(21,22)23)16(11-3-1-10(8-24)2-4-11)27-17(28)15-9-25-18(29)26-15/h1-7,15-16H,9H2,(H,27,28)(H2,25,26,29)/t15-,16+/m0/s1.
What are the key properties of (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 422.79 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-[4-chloro-3-(trifluoromethyl)phenyl]-(4-cyanophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).