N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

C21H16F3N3O3 — CID 11315983

IUPACN-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C21H16F3N3O3/c22-21(23,24)17-3-1-2-4-18(17)27-20(29)13-19(28)26-14-5-7-15(8-6-14)30-16-9-11-25-12-10-16/h1-12H,13H2,(H,26,28)(H,27,29)
InChIKeyPWABMRNPXWFBQK-UHFFFAOYSA-N
MW415.37 g/mol
LogP4.86
Rot. Bonds6

About N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 11315983) has the molecular formula C21H16F3N3O3 and a molecular weight of 415.37 g/mol. Its IUPAC name is N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID11315983
Molecular FormulaC21H16F3N3O3
Molecular Weight415.37 g/mol
Exact Mass415.11
IUPAC NameN-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C21H16F3N3O3/c22-21(23,24)17-3-1-2-4-18(17)27-20(29)13-19(28)26-14-5-7-15(8-6-14)30-16-9-11-25-12-10-16/h1-12H,13H2,(H,26,28)(H,27,29)
InChIKeyPWABMRNPXWFBQK-UHFFFAOYSA-N
XLogP4.86
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
CID 108954775
N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956040
N'-[4-[(2-amino-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153165
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 11545014
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108954645

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 11315983) is N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is PWABMRNPXWFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3/c22-21(23,24)17-3-1-2-4-18(17)27-20(29)13-19(28)26-14-5-7-15(8-6-14)30-16-9-11-25-12-10-16/h1-12H,13H2,(H,26,28)(H,27,29).
What are the key properties of N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 415.37 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 11315983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).