N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide

C24H23F6N3O3 — CID 142086354

IUPACN'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide
SMILESCC(C)NC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3c(C(C)C)c[nH]c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H23F6N3O3/c1-11(2)16-10-31-19-9-14(5-6-15(16)19)36-20-17(23(25,26)27)7-13(8-18(20)24(28,29)30)33-22(35)21(34)32-12(3)4/h5-12,31H,1-4H3,(H,32,34)(H,33,35)
InChIKeyPUMLCFSMUYHUNC-UHFFFAOYSA-N
MW515.45 g/mol
LogP6.58
Rot. Bonds5

About N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide

N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide (PubChem CID 142086354) has the molecular formula C24H23F6N3O3 and a molecular weight of 515.45 g/mol. Its IUPAC name is N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide
PubChem CID142086354
Molecular FormulaC24H23F6N3O3
Molecular Weight515.45 g/mol
Exact Mass515.16
IUPAC NameN'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide
SMILESCC(C)NC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3c(C(C)C)c[nH]c3c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H23F6N3O3/c1-11(2)16-10-31-19-9-14(5-6-15(16)19)36-20-17(23(25,26)27)7-13(8-18(20)24(28,29)30)33-22(35)21(34)32-12(3)4/h5-12,31H,1-4H3,(H,32,34)(H,33,35)
InChIKeyPUMLCFSMUYHUNC-UHFFFAOYSA-N
XLogP6.58
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.45
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide 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'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide (CID 142086354) is N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide is CC(C)NC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3c(C(C)C)c[nH]c3c2)c(C(F)(F)F)c1.
What is the InChIKey of N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide?
The InChIKey is PUMLCFSMUYHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N3O3/c1-11(2)16-10-31-19-9-14(5-6-15(16)19)36-20-17(23(25,26)27)7-13(8-18(20)24(28,29)30)33-22(35)21(34)32-12(3)4/h5-12,31H,1-4H3,(H,32,34)(H,33,35).
What are the key properties of N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide?
N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide has a molecular weight of 515.45 g/mol, XLogP of 6.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-[4-[(3-propan-2-yl-1H-indol-6-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 142086354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).