(4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide

C18H20ClF4N3O2 — CID 166905154

IUPAC(4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)C2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C18H20ClF4N3O2/c19-12-7-10(3-6-13(12)20)15(26-16(27)14-8-24-17(28)25-14)9-1-4-11(5-2-9)18(21,22)23/h3,6-7,9,11,14-15H,1-2,4-5,8H2,(H,26,27)(H2,24,25,28)/t9?,11?,14-,15?/m0/s1
InChIKeyWNVRXHDFXALOHL-JEOOTGQLSA-N
MW421.82 g/mol
LogP3.69
Rot. Bonds4

About (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166905154) has the molecular formula C18H20ClF4N3O2 and a molecular weight of 421.82 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166905154
Molecular FormulaC18H20ClF4N3O2
Molecular Weight421.82 g/mol
Exact Mass421.12
IUPAC Name(4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)C2CCC(C(F)(F)F)CC2)N1
InChIInChI=1S/C18H20ClF4N3O2/c19-12-7-10(3-6-13(12)20)15(26-16(27)14-8-24-17(28)25-14)9-1-4-11(5-2-9)18(21,22)23/h3,6-7,9,11,14-15H,1-2,4-5,8H2,(H,26,27)(H2,24,25,28)/t9?,11?,14-,15?/m0/s1
InChIKeyWNVRXHDFXALOHL-JEOOTGQLSA-N
XLogP3.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.82
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]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
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1-imidazolidinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550157
(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
(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)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 166905154) is (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)C2CCC(C(F)(F)F)CC2)N1.
What is the InChIKey of (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is WNVRXHDFXALOHL-JEOOTGQLSA-N. The full InChI is InChI=1S/C18H20ClF4N3O2/c19-12-7-10(3-6-13(12)20)15(26-16(27)14-8-24-17(28)25-14)9-1-4-11(5-2-9)18(21,22)23/h3,6-7,9,11,14-15H,1-2,4-5,8H2,(H,26,27)(H2,24,25,28)/t9?,11?,14-,15?/m0/s1.
What are the key properties of (4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 421.82 g/mol, XLogP of 3.69, 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)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166905154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).