3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide

C20H21FN2O2 — CID 78854501

IUPAC3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCCO
InChIInChI=1S/C20H21FN2O2/c21-15-7-9-18-17(13-15)16(8-10-19(25)22-11-4-12-24)20(23-18)14-5-2-1-3-6-14/h1-3,5-7,9,13,23-24H,4,8,10-12H2,(H,22,25)
InChIKeyMIDBVZACMHVQGB-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.41
Rot. Bonds7

About 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide (PubChem CID 78854501) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
PubChem CID78854501
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCCO
InChIInChI=1S/C20H21FN2O2/c21-15-7-9-18-17(13-15)16(8-10-19(25)22-11-4-12-24)20(23-18)14-5-2-1-3-6-14/h1-3,5-7,9,13,23-24H,4,8,10-12H2,(H,22,25)
InChIKeyMIDBVZACMHVQGB-UHFFFAOYSA-N
XLogP3.41
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803522
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 8533693
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
CID 46463974
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 8531448
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 55506995
N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
CID 42025322
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17458105

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide (CID 78854501) is 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide is O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCCO.
What is the InChIKey of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide?
The InChIKey is MIDBVZACMHVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-15-7-9-18-17(13-15)16(8-10-19(25)22-11-4-12-24)20(23-18)14-5-2-1-3-6-14/h1-3,5-7,9,13,23-24H,4,8,10-12H2,(H,22,25).
What are the key properties of 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide?
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 78854501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).