N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide

C20H21FN2O2 — CID 17405014

IUPACN-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-7-9-17(10-8-16)25-12-4-3-11-22-20(24)13-15-14-23-19-6-2-1-5-18(15)19/h1-2,5-10,14,23H,3-4,11-13H2,(H,22,24)
InChIKeyQHIHZFKKBZISFU-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.82
Rot. Bonds8

About N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide

N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 17405014) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
PubChem CID17405014
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C20H21FN2O2/c21-16-7-9-17(10-8-16)25-12-4-3-11-22-20(24)13-15-14-23-19-6-2-1-5-18(15)19/h1-2,5-10,14,23H,3-4,11-13H2,(H,22,24)
InChIKeyQHIHZFKKBZISFU-UHFFFAOYSA-N
XLogP3.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N-[2-(4-ethylphenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113100092
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
N-(3-ethenoxypropyl)-2-(1H-indol-3-yl)acetamide
CID 60654256
N-hex-5-ynyl-2-(1H-indol-3-yl)acetamide
CID 113256112
3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
CID 7169174
N-[2-(2-chlorophenoxy)ethyl]-2-(1H-indol-3-yl)acetamide
CID 86069599
2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572295
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide (CID 17405014) is N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCCCOc1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is QHIHZFKKBZISFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-7-9-17(10-8-16)25-12-4-3-11-22-20(24)13-15-14-23-19-6-2-1-5-18(15)19/h1-2,5-10,14,23H,3-4,11-13H2,(H,22,24).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide?
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 17405014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).