N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide

C12H13F3N2O2 — CID 108940771

IUPACN-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCCCNC(=O)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H13F3N2O2/c1-2-5-16-9(18)6-10(19)17-8-4-3-7(13)11(14)12(8)15/h3-4H,2,5-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyOQEOOXPHSZXFGL-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.96
Rot. Bonds5

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

N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide (PubChem CID 108940771) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide.

Molecular Properties

Compound NameN-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
PubChem CID108940771
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
SMILESCCCNC(=O)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H13F3N2O2/c1-2-5-16-9(18)6-10(19)17-8-4-3-7(13)11(14)12(8)15/h3-4H,2,5-6H2,1H3,(H,16,18)(H,17,19)
InChIKeyOQEOOXPHSZXFGL-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
N-(4-acetylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956222
3-N-propyl-5-N-(2,3,4-trifluorophenyl)pyridine-3,5-dicarboxamide
CID 109101322
(2R)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazine-1,4-diium-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 8774257
2,2-dimethyl-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]propanamide
CID 18155036
N'-(2-ethyl-6-methylphenyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108954255
N'-(2-ethylphenyl)-N-propylpropanediamide
CID 108940680
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110965889
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
methyl 2,3-difluoro-4-[[2-oxo-2-(propylamino)ethyl]amino]benzoate
CID 79838074
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The IUPAC name of N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide (CID 108940771) is N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide.
What is the SMILES notation for N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The canonical SMILES for N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide is CCCNC(=O)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide?
The InChIKey is OQEOOXPHSZXFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-5-16-9(18)6-10(19)17-8-4-3-7(13)11(14)12(8)15/h3-4H,2,5-6H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide?
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide has a molecular weight of 274.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide is sourced from PubChem (CID 108940771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).