3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

C26H24FN3O2 — CID 55671297

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C26H24FN3O2/c1-28-25(32)16-18-6-2-4-8-22(18)29-24(31)15-14-21-20-7-3-5-9-23(20)30-26(21)17-10-12-19(27)13-11-17/h2-13,30H,14-16H2,1H3,(H,28,32)(H,29,31)
InChIKeyKRENUQAXKKOXSL-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.83
Rot. Bonds7

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (PubChem CID 55671297) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
PubChem CID55671297
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C26H24FN3O2/c1-28-25(32)16-18-6-2-4-8-22(18)29-24(31)15-14-21-20-7-3-5-9-23(20)30-26(21)17-10-12-19(27)13-11-17/h2-13,30H,14-16H2,1H3,(H,28,32)(H,29,31)
InChIKeyKRENUQAXKKOXSL-UHFFFAOYSA-N
XLogP4.83
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide
CID 55898909
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835724
N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
CID 10070927
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
methyl N-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]phenyl]-N-methylcarbamate
CID 60578471
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8869378
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78818180

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide (CID 55671297) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is CNC(=O)Cc1ccccc1NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
The InChIKey is KRENUQAXKKOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-28-25(32)16-18-6-2-4-8-22(18)29-24(31)15-14-21-20-7-3-5-9-23(20)30-26(21)17-10-12-19(27)13-11-17/h2-13,30H,14-16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide has a molecular weight of 429.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 55671297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).