2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide

C21H21F2N3O2 — CID 166886005

IUPAC2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
SMILESCC(C)(NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(N)=O
InChIInChI=1S/C21H21F2N3O2/c1-21(2,20(24)28)26-18(27)10-8-15-16-11-14(23)7-9-17(16)25-19(15)12-3-5-13(22)6-4-12/h3-7,9,11,25H,8,10H2,1-2H3,(H2,24,28)(H,26,27)
InChIKeySBMSMDRXVSBIGE-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.43
Rot. Bonds6

About 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide

2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide (PubChem CID 166886005) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
PubChem CID166886005
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
SMILESCC(C)(NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(N)=O
InChIInChI=1S/C21H21F2N3O2/c1-21(2,20(24)28)26-18(27)10-8-15-16-11-14(23)7-9-17(16)25-19(15)12-3-5-13(22)6-4-12/h3-7,9,11,25H,8,10H2,1-2H3,(H2,24,28)(H,26,27)
InChIKeySBMSMDRXVSBIGE-UHFFFAOYSA-N
XLogP3.43
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 25496772
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 25326081
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 8533693
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 8528835
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 8531448

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide?
The IUPAC name of 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide (CID 166886005) is 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide?
The canonical SMILES for 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide is CC(C)(NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)C(N)=O.
What is the InChIKey of 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide?
The InChIKey is SBMSMDRXVSBIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-21(2,20(24)28)26-18(27)10-8-15-16-11-14(23)7-9-17(16)25-19(15)12-3-5-13(22)6-4-12/h3-7,9,11,25H,8,10H2,1-2H3,(H2,24,28)(H,26,27).
What are the key properties of 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide?
2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide has a molecular weight of 385.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide is sourced from PubChem (CID 166886005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).