2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide

C21H25ClN2O2 — CID 46763359

IUPAC2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C21H25ClN2O2/c1-2-19(26-20-11-6-4-9-17(20)22)21(25)23-13-7-14-24-15-12-16-8-3-5-10-18(16)24/h3-6,8-11,19H,2,7,12-15H2,1H3,(H,23,25)
InChIKeyJNJYDRHTGNQXCN-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.07
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide

2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide (PubChem CID 46763359) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
PubChem CID46763359
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C21H25ClN2O2/c1-2-19(26-20-11-6-4-9-17(20)22)21(25)23-13-7-14-24-15-12-16-8-3-5-10-18(16)24/h3-6,8-11,19H,2,7,12-15H2,1H3,(H,23,25)
InChIKeyJNJYDRHTGNQXCN-UHFFFAOYSA-N
XLogP4.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.07
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

(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-fluorophenoxy)butanamide
CID 94016366
2-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393611
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide (CID 46763359) is 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide is CCC(Oc1ccccc1Cl)C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide?
The InChIKey is JNJYDRHTGNQXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-19(26-20-11-6-4-9-17(20)22)21(25)23-13-7-14-24-15-12-16-8-3-5-10-18(16)24/h3-6,8-11,19H,2,7,12-15H2,1H3,(H,23,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide?
2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide has a molecular weight of 372.90 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide is sourced from PubChem (CID 46763359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).