N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

C20H20F3N3O2 — CID 108956040

IUPACN-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-5-1-2-6-17(16)25-19(28)13-18(27)24-14-7-9-15(10-8-14)26-11-3-4-12-26/h1-2,5-10H,3-4,11-13H2,(H,24,27)(H,25,28)
InChIKeyPPTOHFMDCJUSGD-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.27
Rot. Bonds5

About N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108956040) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108956040
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-5-1-2-6-17(16)25-19(28)13-18(27)24-14-7-9-15(10-8-14)26-11-3-4-12-26/h1-2,5-10H,3-4,11-13H2,(H,24,27)(H,25,28)
InChIKeyPPTOHFMDCJUSGD-UHFFFAOYSA-N
XLogP4.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108954901
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
methyl 2-[[3-oxo-3-(4-piperidin-1-ylanilino)propanoyl]amino]benzoate
CID 108956300
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956501
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108956040) is N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is O=C(CC(=O)Nc1ccccc1C(F)(F)F)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is PPTOHFMDCJUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)16-5-1-2-6-17(16)25-19(28)13-18(27)24-14-7-9-15(10-8-14)26-11-3-4-12-26/h1-2,5-10H,3-4,11-13H2,(H,24,27)(H,25,28).
What are the key properties of N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 391.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108956040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).