(2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide

C28H24F3N3O2 — CID 11420463

IUPAC(2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)c1ccc(/C=C(/C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C28H24F3N3O2/c1-17(2)19-8-6-18(7-9-19)14-24(26(35)33-22-5-3-4-21(16-22)28(29,30)31)27(36)34-23-10-11-25-20(15-23)12-13-32-25/h3-17,32H,1-2H3,(H,33,35)(H,34,36)/b24-14-
InChIKeySDSQJUMPBBLJBH-OYKKKHCWSA-N
MW491.51 g/mol
LogP6.97
Rot. Bonds6

About (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide

(2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide (PubChem CID 11420463) has the molecular formula C28H24F3N3O2 and a molecular weight of 491.51 g/mol. Its IUPAC name is (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide.

Molecular Properties

Compound Name(2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
PubChem CID11420463
Molecular FormulaC28H24F3N3O2
Molecular Weight491.51 g/mol
Exact Mass491.18
IUPAC Name(2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
SMILESCC(C)c1ccc(/C=C(/C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C28H24F3N3O2/c1-17(2)19-8-6-18(7-9-19)14-24(26(35)33-22-5-3-4-21(16-22)28(29,30)31)27(36)34-23-10-11-25-20(15-23)12-13-32-25/h3-17,32H,1-2H3,(H,33,35)(H,34,36)/b24-14-
InChIKeySDSQJUMPBBLJBH-OYKKKHCWSA-N
XLogP6.97
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(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

1-(1H-indol-5-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 155746688
(2Z)-2-[(4-chlorophenyl)methylidene]-N-(2-chloro-4-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 11317597
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
N,N'-bis(3,4-dimethylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 3331137
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 159194263
N-(2-chloro-4-pyridinyl)-2-[(6-chloro-3-pyridinyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 91543878
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
2-[(4-propan-2-ylphenyl)methylidene]-N',N'-bis[3-(trifluoromethyl)phenyl]propanediamide
CID 87963915
1-(1H-indol-6-yl)-3-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]urea
CID 155412266
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The IUPAC name of (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide (CID 11420463) is (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide.
What is the SMILES notation for (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The canonical SMILES for (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide is CC(C)c1ccc(/C=C(/C(=O)Nc2cccc(C(F)(F)F)c2)C(=O)Nc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide?
The InChIKey is SDSQJUMPBBLJBH-OYKKKHCWSA-N. The full InChI is InChI=1S/C28H24F3N3O2/c1-17(2)19-8-6-18(7-9-19)14-24(26(35)33-22-5-3-4-21(16-22)28(29,30)31)27(36)34-23-10-11-25-20(15-23)12-13-32-25/h3-17,32H,1-2H3,(H,33,35)(H,34,36)/b24-14-.
What are the key properties of (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide?
(2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide has a molecular weight of 491.51 g/mol, XLogP of 6.97, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1H-indol-5-yl)-2-[(4-propan-2-ylphenyl)methylidene]-N'-[3-(trifluoromethyl)phenyl]propanediamide is sourced from PubChem (CID 11420463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).