(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide

C21H25FN2O2 — CID 94016366

IUPAC(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C21H25FN2O2/c1-2-20(26-18-10-8-17(22)9-11-18)21(25)23-13-5-14-24-15-12-16-6-3-4-7-19(16)24/h3-4,6-11,20H,2,5,12-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyKHZKTCTWAOCLID-FQEVSTJZSA-N
MW356.44 g/mol
LogP3.55
Rot. Bonds8

About (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide

(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide (PubChem CID 94016366) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
PubChem CID94016366
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C21H25FN2O2/c1-2-20(26-18-10-8-17(22)9-11-18)21(25)23-13-5-14-24-15-12-16-6-3-4-7-19(16)24/h3-4,6-11,20H,2,5,12-15H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyKHZKTCTWAOCLID-FQEVSTJZSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
CID 46763359
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 28576885
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
(2R)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 93486880
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2R)-N-[3-(dimethylamino)propyl]-2-(4-fluorophenoxy)butanamide
CID 99952368
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide (CID 94016366) is (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide?
The InChIKey is KHZKTCTWAOCLID-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-2-20(26-18-10-8-17(22)9-11-18)21(25)23-13-5-14-24-15-12-16-6-3-4-7-19(16)24/h3-4,6-11,20H,2,5,12-15H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide?
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide has a molecular weight of 356.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 94016366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).