3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide

C19H16F3N3O5 — CID 166073506

IUPAC3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)cc2c1OCO2
InChIInChI=1S/C19H16F3N3O5/c1-25-14(8-23-18(25)27)17(26)24-13-6-12(7-15-16(13)29-9-28-15)30-11-4-2-10(3-5-11)19(20,21)22/h2-7,14H,8-9H2,1H3,(H,23,27)(H,24,26)
InChIKeyFKBSWLDYHFSJRV-UHFFFAOYSA-N
MW423.35 g/mol
LogP3.19
Rot. Bonds4

About 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide

3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide (PubChem CID 166073506) has the molecular formula C19H16F3N3O5 and a molecular weight of 423.35 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide
PubChem CID166073506
Molecular FormulaC19H16F3N3O5
Molecular Weight423.35 g/mol
Exact Mass423.10
IUPAC Name3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide
SMILESCN1C(=O)NCC1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)cc2c1OCO2
InChIInChI=1S/C19H16F3N3O5/c1-25-14(8-23-18(25)27)17(26)24-13-6-12(7-15-16(13)29-9-28-15)30-11-4-2-10(3-5-11)19(20,21)22/h2-7,14H,8-9H2,1H3,(H,23,27)(H,24,26)
InChIKeyFKBSWLDYHFSJRV-UHFFFAOYSA-N
XLogP3.19
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide?
The IUPAC name of 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide (CID 166073506) is 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide?
The canonical SMILES for 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide is CN1C(=O)NCC1C(=O)Nc1cc(Oc2ccc(C(F)(F)F)cc2)cc2c1OCO2.
What is the InChIKey of 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide?
The InChIKey is FKBSWLDYHFSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O5/c1-25-14(8-23-18(25)27)17(26)24-13-6-12(7-15-16(13)29-9-28-15)30-11-4-2-10(3-5-11)19(20,21)22/h2-7,14H,8-9H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide?
3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide has a molecular weight of 423.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[6-[4-(trifluoromethyl)phenoxy]-1,3-benzodioxol-4-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 166073506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).