(4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C18H15ClF3N3O3 — CID 162520904

IUPAC(4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)N1
InChIInChI=1S/C18H15ClF3N3O3/c19-12-3-1-2-11(8-12)15(25-16(26)14-9-23-17(27)24-14)10-4-6-13(7-5-10)28-18(20,21)22/h1-8,14-15H,9H2,(H,25,26)(H2,23,24,27)/t14-,15+/m0/s1
InChIKeyMIIFNGCPHIIDAS-LSDHHAIUSA-N
MW413.78 g/mol
LogP3.13
Rot. Bonds5

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

(4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162520904) has the molecular formula C18H15ClF3N3O3 and a molecular weight of 413.78 g/mol. Its IUPAC name is (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162520904
Molecular FormulaC18H15ClF3N3O3
Molecular Weight413.78 g/mol
Exact Mass413.08
IUPAC Name(4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)N1
InChIInChI=1S/C18H15ClF3N3O3/c19-12-3-1-2-11(8-12)15(25-16(26)14-9-23-17(27)24-14)10-4-6-13(7-5-10)28-18(20,21)22/h1-8,14-15H,9H2,(H,25,26)(H2,23,24,27)/t14-,15+/m0/s1
InChIKeyMIIFNGCPHIIDAS-LSDHHAIUSA-N
XLogP3.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.78
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162520904) is (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2ccc(OC(F)(F)F)cc2)c2cccc(Cl)c2)N1.
What is the InChIKey of (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is MIIFNGCPHIIDAS-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H15ClF3N3O3/c19-12-3-1-2-11(8-12)15(25-16(26)14-9-23-17(27)24-14)10-4-6-13(7-5-10)28-18(20,21)22/h1-8,14-15H,9H2,(H,25,26)(H2,23,24,27)/t14-,15+/m0/s1.
What are the key properties of (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 413.78 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(R)-(3-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162520904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).