(4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H16ClF4N3O2 — CID 166907953

IUPAC(4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)[C@@H]2CC[C@H]2C(F)(F)F)N1
InChIInChI=1S/C16H16ClF4N3O2/c17-10-5-7(1-4-11(10)18)13(8-2-3-9(8)16(19,20)21)24-14(25)12-6-22-15(26)23-12/h1,4-5,8-9,12-13H,2-3,6H2,(H,24,25)(H2,22,23,26)/t8-,9-,12+,13?/m1/s1
InChIKeyHFGOBYVPDJCJDF-MUWIMTQBSA-N
MW393.77 g/mol
LogP2.91
Rot. Bonds4

About (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166907953) has the molecular formula C16H16ClF4N3O2 and a molecular weight of 393.77 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166907953
Molecular FormulaC16H16ClF4N3O2
Molecular Weight393.77 g/mol
Exact Mass393.09
IUPAC Name(4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)[C@@H]2CC[C@H]2C(F)(F)F)N1
InChIInChI=1S/C16H16ClF4N3O2/c17-10-5-7(1-4-11(10)18)13(8-2-3-9(8)16(19,20)21)24-14(25)12-6-22-15(26)23-12/h1,4-5,8-9,12-13H,2-3,6H2,(H,24,25)(H2,22,23,26)/t8-,9-,12+,13?/m1/s1
InChIKeyHFGOBYVPDJCJDF-MUWIMTQBSA-N
XLogP2.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]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
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
1-(cyclobutylmethyl)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 25096467
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-piperidin-4-ylimidazolidine-4-carboxamide
CID 25097732
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71463297

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 166907953) is (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)[C@@H]2CC[C@H]2C(F)(F)F)N1.
What is the InChIKey of (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is HFGOBYVPDJCJDF-MUWIMTQBSA-N. The full InChI is InChI=1S/C16H16ClF4N3O2/c17-10-5-7(1-4-11(10)18)13(8-2-3-9(8)16(19,20)21)24-14(25)12-6-22-15(26)23-12/h1,4-5,8-9,12-13H,2-3,6H2,(H,24,25)(H2,22,23,26)/t8-,9-,12+,13?/m1/s1.
What are the key properties of (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 393.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-chloro-4-fluorophenyl)-[(1R,2R)-2-(trifluoromethyl)cyclobutyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166907953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).