N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide

C16H11F5N2O2 — CID 108956092

IUPACN-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F5N2O2/c17-12-5-4-11(7-13(12)18)23-15(25)8-14(24)22-10-3-1-2-9(6-10)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyYMXIUUOOWJNIDQ-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.95
Rot. Bonds4

About N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide

N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108956092) has the molecular formula C16H11F5N2O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108956092
Molecular FormulaC16H11F5N2O2
Molecular Weight358.27 g/mol
Exact Mass358.07
IUPAC NameN-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)c(F)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F5N2O2/c17-12-5-4-11(7-13(12)18)23-15(25)8-14(24)22-10-3-1-2-9(6-10)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25)
InChIKeyYMXIUUOOWJNIDQ-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
N'-[(4-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 1101273
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
methyl 3-[[3-(3,4-difluoroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956359
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide (CID 108956092) is N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1ccc(F)c(F)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is YMXIUUOOWJNIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O2/c17-12-5-4-11(7-13(12)18)23-15(25)8-14(24)22-10-3-1-2-9(6-10)16(19,20)21/h1-7H,8H2,(H,22,24)(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 358.27 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108956092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).