N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C18H17F3N2O3 — CID 108987361

IUPACN-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11(2)26-15-8-6-13(7-9-15)22-16(24)17(25)23-14-5-3-4-12(10-14)18(19,20)21/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPMKGECINSJKKNC-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.07
Rot. Bonds4

About N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108987361) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID108987361
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-11(2)26-15-8-6-13(7-9-15)22-16(24)17(25)23-14-5-3-4-12(10-14)18(19,20)21/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPMKGECINSJKKNC-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363
5-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52904562
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
4-(1-hydrazinyl-1-oxopropan-2-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4137017
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 108987361) is N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is CC(C)Oc1ccc(NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is PMKGECINSJKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11(2)26-15-8-6-13(7-9-15)22-16(24)17(25)23-14-5-3-4-12(10-14)18(19,20)21/h3-11H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 366.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108987361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).