N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide

C19H17ClF6N4O2 — CID 21486831

IUPACN-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCC1CCC(C)N1C(=O)Nc1ccc(Oc2cc(C(F)(F)F)nc(Cl)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF6N4O2/c1-9-3-4-10(2)30(9)17(31)27-11-5-6-13(12(7-11)18(21,22)23)32-15-8-14(19(24,25)26)28-16(20)29-15/h5-10H,3-4H2,1-2H3,(H,27,31)
InChIKeyHDHCCAGJAWRFOC-UHFFFAOYSA-N
MW482.81 g/mol
LogP6.36
Rot. Bonds3

About N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide

N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide (PubChem CID 21486831) has the molecular formula C19H17ClF6N4O2 and a molecular weight of 482.81 g/mol. Its IUPAC name is N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide
PubChem CID21486831
Molecular FormulaC19H17ClF6N4O2
Molecular Weight482.81 g/mol
Exact Mass482.09
IUPAC NameN-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide
SMILESCC1CCC(C)N1C(=O)Nc1ccc(Oc2cc(C(F)(F)F)nc(Cl)n2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17ClF6N4O2/c1-9-3-4-10(2)30(9)17(31)27-11-5-6-13(12(7-11)18(21,22)23)32-15-8-14(19(24,25)26)28-16(20)29-15/h5-10H,3-4H2,1-2H3,(H,27,31)
InChIKeyHDHCCAGJAWRFOC-UHFFFAOYSA-N
XLogP6.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.81
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide (CID 21486831) is N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide is CC1CCC(C)N1C(=O)Nc1ccc(Oc2cc(C(F)(F)F)nc(Cl)n2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
The InChIKey is HDHCCAGJAWRFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF6N4O2/c1-9-3-4-10(2)30(9)17(31)27-11-5-6-13(12(7-11)18(21,22)23)32-15-8-14(19(24,25)26)28-16(20)29-15/h5-10H,3-4H2,1-2H3,(H,27,31).
What are the key properties of N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide?
N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide has a molecular weight of 482.81 g/mol, XLogP of 6.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxy-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 21486831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).