2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide

C25H22F10N4O — CID 46102314

IUPAC2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide
SMILESO=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C25H22F10N4O/c26-22(27,24(31,32)25(33,34)35)21(40)37-17-4-5-20-19(13-17)15(14-36-20)6-7-38-8-10-39(11-9-38)18-3-1-2-16(12-18)23(28,29)30/h1-5,12-14,36H,6-11H2,(H,37,40)
InChIKeyXDJVIAAAVDVNRN-UHFFFAOYSA-N
MW584.46 g/mol
LogP6.32
Rot. Bonds7

About 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide

2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide (PubChem CID 46102314) has the molecular formula C25H22F10N4O and a molecular weight of 584.46 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide
PubChem CID46102314
Molecular FormulaC25H22F10N4O
Molecular Weight584.46 g/mol
Exact Mass584.16
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide
SMILESO=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C25H22F10N4O/c26-22(27,24(31,32)25(33,34)35)21(40)37-17-4-5-20-19(13-17)15(14-36-20)6-7-38-8-10-39(11-9-38)18-3-1-2-16(12-18)23(28,29)30/h1-5,12-14,36H,6-11H2,(H,37,40)
InChIKeyXDJVIAAAVDVNRN-UHFFFAOYSA-N
XLogP6.32
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.46
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide 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

3-(1H-indol-3-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 4807104
N-[3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide
CID 46102326
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
3-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxamide
CID 57302731
N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
N-[2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide
CID 91471972
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 50875724
N-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 33473802
methyl N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]carbamate
CID 70526234

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide (CID 46102314) is 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide is O=C(Nc1ccc2[nH]cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide?
The InChIKey is XDJVIAAAVDVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F10N4O/c26-22(27,24(31,32)25(33,34)35)21(40)37-17-4-5-20-19(13-17)15(14-36-20)6-7-38-8-10-39(11-9-38)18-3-1-2-16(12-18)23(28,29)30/h1-5,12-14,36H,6-11H2,(H,37,40).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide?
2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide has a molecular weight of 584.46 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-[3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-indol-5-yl]butanamide is sourced from PubChem (CID 46102314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).