N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide

C20H16F4N4O2 — CID 11495449

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CN(Cc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C20H16F4N4O2/c1-19(11-28(18(30)27-19)10-12-2-5-14(21)6-3-12)17(29)26-15-7-4-13(9-25)16(8-15)20(22,23)24/h2-8H,10-11H2,1H3,(H,26,29)(H,27,30)
InChIKeyJBRNEQLWTLDUFQ-UHFFFAOYSA-N
MW420.37 g/mol
LogP3.64
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 11495449) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID11495449
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CN(Cc2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C20H16F4N4O2/c1-19(11-28(18(30)27-19)10-12-2-5-14(21)6-3-12)17(29)26-15-7-4-13(9-25)16(8-15)20(22,23)24/h2-8H,10-11H2,1H3,(H,26,29)(H,27,30)
InChIKeyJBRNEQLWTLDUFQ-UHFFFAOYSA-N
XLogP3.64
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide (CID 11495449) is N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide is CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CN(Cc2ccc(F)cc2)C(=O)N1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is JBRNEQLWTLDUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c1-19(11-28(18(30)27-19)10-12-2-5-14(21)6-3-12)17(29)26-15-7-4-13(9-25)16(8-15)20(22,23)24/h2-8H,10-11H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 420.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-[(4-fluorophenyl)methyl]-4-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 11495449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).