(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide

C18H20ClF4N3O2 — CID 162520738

IUPAC(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(CC2CCC(F)(F)CC2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C18H20ClF4N3O2/c19-14-11(20)2-1-10(15(14)21)12(7-9-3-5-18(22,23)6-4-9)25-16(27)13-8-24-17(28)26-13/h1-2,9,12-13H,3-8H2,(H,25,27)(H2,24,26,28)/t12?,13-/m0/s1
InChIKeyGXQHKLCRIAOBGF-ABLWVSNPSA-N
MW421.82 g/mol
LogP3.67
Rot. Bonds5

About (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520738) has the molecular formula C18H20ClF4N3O2 and a molecular weight of 421.82 g/mol. Its IUPAC name is (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520738
Molecular FormulaC18H20ClF4N3O2
Molecular Weight421.82 g/mol
Exact Mass421.12
IUPAC Name(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(CC2CCC(F)(F)CC2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C18H20ClF4N3O2/c19-14-11(20)2-1-10(15(14)21)12(7-9-3-5-18(22,23)6-4-9)25-16(27)13-8-24-17(28)26-13/h1-2,9,12-13H,3-8H2,(H,25,27)(H2,24,26,28)/t12?,13-/m0/s1
InChIKeyGXQHKLCRIAOBGF-ABLWVSNPSA-N
XLogP3.67
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.82
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide (CID 162520738) is (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(CC2CCC(F)(F)CC2)c2ccc(F)c(Cl)c2F)N1.
What is the InChIKey of (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GXQHKLCRIAOBGF-ABLWVSNPSA-N. The full InChI is InChI=1S/C18H20ClF4N3O2/c19-14-11(20)2-1-10(15(14)21)12(7-9-3-5-18(22,23)6-4-9)25-16(27)13-8-24-17(28)26-13/h1-2,9,12-13H,3-8H2,(H,25,27)(H2,24,26,28)/t12?,13-/m0/s1.
What are the key properties of (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 421.82 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).