3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide

C21H22F2N2O2 — CID 42803946

IUPAC3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22F2N2O2/c1-27-10-4-9-24-21(26)12-17(15-8-7-14(22)11-19(15)23)18-13-25-20-6-3-2-5-16(18)20/h2-3,5-8,11,13,17,25H,4,9-10,12H2,1H3,(H,24,26)
InChIKeyJOLZAWWCEUPBTR-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.12
Rot. Bonds8

About 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide

3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 42803946) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
PubChem CID42803946
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22F2N2O2/c1-27-10-4-9-24-21(26)12-17(15-8-7-14(22)11-19(15)23)18-13-25-20-6-3-2-5-16(18)20/h2-3,5-8,11,13,17,25H,4,9-10,12H2,1H3,(H,24,26)
InChIKeyJOLZAWWCEUPBTR-UHFFFAOYSA-N
XLogP4.12
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.12
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

3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803966
N-[2-(2,4-dichlorophenyl)ethyl]-3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 42803940
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methoxypropyl)urea
CID 50801399
3-(4-ethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 91634966
3-(2-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803855
N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803917
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
3-(3,5-dimethoxyphenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 4522568
2,5-difluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43018386
3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(3-methoxypropyl)propanamide
CID 5140407

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide (CID 42803946) is 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CC(c1ccc(F)cc1F)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is JOLZAWWCEUPBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-27-10-4-9-24-21(26)12-17(15-8-7-14(22)11-19(15)23)18-13-25-20-6-3-2-5-16(18)20/h2-3,5-8,11,13,17,25H,4,9-10,12H2,1H3,(H,24,26).
What are the key properties of 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide?
3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 372.42 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 42803946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).