N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide

C21H23FN2O2 — CID 16574428

IUPACN-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCCOc1ccccc1F
InChIInChI=1S/C21H23FN2O2/c22-18-9-2-4-11-20(18)26-14-6-13-23-21(25)12-5-7-16-15-24-19-10-3-1-8-17(16)19/h1-4,8-11,15,24H,5-7,12-14H2,(H,23,25)
InChIKeyQERYXUMQFFGCPL-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.22
Rot. Bonds9

About N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide

N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 16574428) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
PubChem CID16574428
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCCOc1ccccc1F
InChIInChI=1S/C21H23FN2O2/c22-18-9-2-4-11-20(18)26-14-6-13-23-21(25)12-5-7-16-15-24-19-10-3-1-8-17(16)19/h1-4,8-11,15,24H,5-7,12-14H2,(H,23,25)
InChIKeyQERYXUMQFFGCPL-UHFFFAOYSA-N
XLogP4.22
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.22
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-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
CID 18170635
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46699053
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide (CID 16574428) is N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCCOc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is QERYXUMQFFGCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-9-2-4-11-20(18)26-14-6-13-23-21(25)12-5-7-16-15-24-19-10-3-1-8-17(16)19/h1-4,8-11,15,24H,5-7,12-14H2,(H,23,25).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide?
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 354.43 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 16574428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).