N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide

C26H23ClF2N2O — CID 178070450

IUPACN-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cccc(Cl)c12)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H23ClF2N2O/c27-23-4-1-5-24-26(23)19(16-31-24)15-25(32)30-14-2-3-22(17-6-10-20(28)11-7-17)18-8-12-21(29)13-9-18/h1,4-13,16,22,31H,2-3,14-15H2,(H,30,32)
InChIKeyXXRVZSAFVJTTLP-UHFFFAOYSA-N
MW452.93 g/mol
LogP6.37
Rot. Bonds8

About N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide

N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide (PubChem CID 178070450) has the molecular formula C26H23ClF2N2O and a molecular weight of 452.93 g/mol. Its IUPAC name is N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide
PubChem CID178070450
Molecular FormulaC26H23ClF2N2O
Molecular Weight452.93 g/mol
Exact Mass452.15
IUPAC NameN-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2cccc(Cl)c12)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H23ClF2N2O/c27-23-4-1-5-24-26(23)19(16-31-24)15-25(32)30-14-2-3-22(17-6-10-20(28)11-7-17)18-8-12-21(29)13-9-18/h1,4-13,16,22,31H,2-3,14-15H2,(H,30,32)
InChIKeyXXRVZSAFVJTTLP-UHFFFAOYSA-N
XLogP6.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.93
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-diphenylbutyl)-2-(1H-indol-3-yl)acetamide
CID 178070448
2-(4-chloro-1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 136544621
N-[4,4-bis(4-fluorophenyl)butyl]-2-(methylamino)acetamide
CID 18418681
N-butan-2-yl-2-(4-chloro-1H-indol-3-yl)acetamide
CID 110848452
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide
CID 110833755
2-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
N-(4-amino-5-hydroxyhex-5-enyl)-2-(1H-indol-3-yl)acetamide
CID 144920872
5-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylpentanoic acid
CID 104682499
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
2-(4-chloro-1H-indol-3-yl)ethanone;yttrium
CID 166553982
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285

Frequently Asked Questions

What is the IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide?
The IUPAC name of N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide (CID 178070450) is N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2cccc(Cl)c12)NCCCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide?
The InChIKey is XXRVZSAFVJTTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N2O/c27-23-4-1-5-24-26(23)19(16-31-24)15-25(32)30-14-2-3-22(17-6-10-20(28)11-7-17)18-8-12-21(29)13-9-18/h1,4-13,16,22,31H,2-3,14-15H2,(H,30,32).
What are the key properties of N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide?
N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide has a molecular weight of 452.93 g/mol, XLogP of 6.37, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-bis(4-fluorophenyl)butyl]-2-(4-chloro-1H-indol-3-yl)acetamide is sourced from PubChem (CID 178070450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).