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

C17H12F6N2O2 — CID 108956063

IUPACN'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)10-4-6-12(7-5-10)24-14(26)9-15(27)25-13-3-1-2-11(8-13)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyLHTNXCGOEMYBBH-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.69
Rot. Bonds4

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

N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108956063) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
PubChem CID108956063
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC NameN'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)10-4-6-12(7-5-10)24-14(26)9-15(27)25-13-3-1-2-11(8-13)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyLHTNXCGOEMYBBH-UHFFFAOYSA-N
XLogP4.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.69
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-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956065
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
N'-(2,6-difluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956121
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N'-[(4-fluorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 1101273
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508

Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide (CID 108956063) is N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is LHTNXCGOEMYBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-16(19,20)10-4-6-12(7-5-10)24-14(26)9-15(27)25-13-3-1-2-11(8-13)17(21,22)23/h1-8H,9H2,(H,24,26)(H,25,27).
What are the key properties of N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide?
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 390.28 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108956063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).