N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide

C18H17F3N2O3 — CID 108955874

IUPACN'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-10(2)26-14-6-4-3-5-12(14)22-15(24)9-16(25)23-13-8-7-11(19)17(20)18(13)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyONCASIGXHDRUFH-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.86
Rot. Bonds6

About N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide

N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide (PubChem CID 108955874) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
PubChem CID108955874
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-10(2)26-14-6-4-3-5-12(14)22-15(24)9-16(25)23-13-8-7-11(19)17(20)18(13)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyONCASIGXHDRUFH-UHFFFAOYSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108987352
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
2-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)acetamide
CID 112687005
2-[2-(4-chlorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109002867
3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955868
3,4-difluoro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999010

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide?
The IUPAC name of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide (CID 108955874) is N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide.
What is the SMILES notation for N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide?
The canonical SMILES for N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide?
The InChIKey is ONCASIGXHDRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-10(2)26-14-6-4-3-5-12(14)22-15(24)9-16(25)23-13-8-7-11(19)17(20)18(13)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide?
N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide has a molecular weight of 366.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-yloxyphenyl)-N-(2,3,4-trifluorophenyl)propanediamide is sourced from PubChem (CID 108955874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).