N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide

C21H23FN2O — CID 55412331

IUPACN-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCCC(C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H23FN2O/c1-3-14(2)23-20(25)13-12-18-17-6-4-5-7-19(17)24-21(18)15-8-10-16(22)11-9-15/h4-11,14,24H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyQWQGRRLQIXCZBY-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.82
Rot. Bonds6

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

N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (PubChem CID 55412331) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
PubChem CID55412331
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
SMILESCCC(C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C21H23FN2O/c1-3-14(2)23-20(25)13-12-18-17-6-4-5-7-19(17)24-21(18)15-8-10-16(22)11-9-15/h4-11,14,24H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyQWQGRRLQIXCZBY-UHFFFAOYSA-N
XLogP4.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(5-methylhexan-2-yl)propanamide
CID 16566418
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
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-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-[(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 N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide (CID 55412331) is N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is CCC(C)NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
The InChIKey is QWQGRRLQIXCZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-3-14(2)23-20(25)13-12-18-17-6-4-5-7-19(17)24-21(18)15-8-10-16(22)11-9-15/h4-11,14,24H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide?
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide has a molecular weight of 338.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 55412331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).