3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide

C20H21FN2O — CID 51229084

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H21FN2O/c1-13(2)22-19(24)12-11-17-16-5-3-4-6-18(16)23-20(17)14-7-9-15(21)10-8-14/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyNUKWWWDQGKQEPT-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.43
Rot. Bonds5

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide (PubChem CID 51229084) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
PubChem CID51229084
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H21FN2O/c1-13(2)22-19(24)12-11-17-16-5-3-4-6-18(16)23-20(17)14-7-9-15(21)10-8-14/h3-10,13,23H,11-12H2,1-2H3,(H,22,24)
InChIKeyNUKWWWDQGKQEPT-UHFFFAOYSA-N
XLogP4.43
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide
CID 167784657
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(5-methylhexan-2-yl)propanamide
CID 16566418
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55671297
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 8528835
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835724
N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78818180
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 25326081

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide (CID 51229084) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide?
The InChIKey is NUKWWWDQGKQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-13(2)22-19(24)12-11-17-16-5-3-4-6-18(16)23-20(17)14-7-9-15(21)10-8-14/h3-10,13,23H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide has a molecular weight of 324.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 51229084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).