4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

C23H20F3N3O2 — CID 54795283

IUPAC4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(CCC(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)17-2-1-3-20(14-17)29-22(31)16-7-11-19(12-8-16)28-21(30)13-6-15-4-9-18(27)10-5-15/h1-5,7-12,14H,6,13,27H2,(H,28,30)(H,29,31)
InChIKeyUGDDZDNFAGIJEE-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.11
Rot. Bonds6

About 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 54795283) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID54795283
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESNc1ccc(CCC(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)17-2-1-3-20(14-17)29-22(31)16-7-11-19(12-8-16)28-21(30)13-6-15-4-9-18(27)10-5-15/h1-5,7-12,14H,6,13,27H2,(H,28,30)(H,29,31)
InChIKeyUGDDZDNFAGIJEE-UHFFFAOYSA-N
XLogP5.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
3-phenylpropyl 4-oxo-4-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]butanoate
CID 28639227
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977
3-[3-(2-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795446
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 54795283) is 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is Nc1ccc(CCC(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UGDDZDNFAGIJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)17-2-1-3-20(14-17)29-22(31)16-7-11-19(12-8-16)28-21(30)13-6-15-4-9-18(27)10-5-15/h1-5,7-12,14H,6,13,27H2,(H,28,30)(H,29,31).
What are the key properties of 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 427.43 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 54795283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).