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

C18H15F3N2O3 — CID 108956065

IUPACN-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCC(=O)c1ccc(NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F3N2O3/c1-11(24)12-5-7-14(8-6-12)22-16(25)10-17(26)23-15-4-2-3-13(9-15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyVFKVSRVRDFVMNN-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.88
Rot. Bonds5

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

N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108956065) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID108956065
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC NameN-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCC(=O)c1ccc(NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F3N2O3/c1-11(24)12-5-7-14(8-6-12)22-16(25)10-17(26)23-15-4-2-3-13(9-15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)(H,23,26)
InChIKeyVFKVSRVRDFVMNN-UHFFFAOYSA-N
XLogP3.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
[2-(4-acetylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504453
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
N-(4-acetylphenyl)-2-[N-acetyl-3-(trifluoromethyl)anilino]acetamide
CID 113175214
lithium 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
CID 23693664
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
CID 89006052
CID 89006052
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
1-(4-acetylphenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
CID 19058022
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide (CID 108956065) is N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide is CC(=O)c1ccc(NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is VFKVSRVRDFVMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-11(24)12-5-7-14(8-6-12)22-16(25)10-17(26)23-15-4-2-3-13(9-15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide?
N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 364.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108956065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).