N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

C18H16F3N3O3 — CID 108956034

IUPACN-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O3/c1-11(25)22-12-6-8-13(9-7-12)23-16(26)10-17(27)24-15-5-3-2-4-14(15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyIMADDXFDVTVCFY-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.63
Rot. Bonds5

About N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide

N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (PubChem CID 108956034) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
PubChem CID108956034
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O3/c1-11(25)22-12-6-8-13(9-7-12)23-16(26)10-17(27)24-15-5-3-2-4-14(15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyIMADDXFDVTVCFY-UHFFFAOYSA-N
XLogP3.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956040
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
N'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954654
(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9031029
N-[(2-methylphenyl)methyl]-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108945471
N-pentyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108951939
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
N-[4-[(Z)-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 7937343

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide (CID 108956034) is N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is CC(=O)Nc1ccc(NC(=O)CC(=O)Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is IMADDXFDVTVCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-11(25)22-12-6-8-13(9-7-12)23-16(26)10-17(27)24-15-5-3-2-4-14(15)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide?
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 379.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 108956034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).