N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide

C20H22FN3O — CID 167819442

IUPACN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(C)Cc1cn(C)c2ccc(F)cc12
InChIInChI=1S/C20H22FN3O/c1-13(23-20(25)16-6-4-5-7-18(16)22-2)10-14-12-24(3)19-9-8-15(21)11-17(14)19/h4-9,11-13,22H,10H2,1-3H3,(H,23,25)
InChIKeyLZMUHMMPXVVZSL-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.72
Rot. Bonds5

About N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide

N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide (PubChem CID 167819442) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
PubChem CID167819442
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(C)Cc1cn(C)c2ccc(F)cc12
InChIInChI=1S/C20H22FN3O/c1-13(23-20(25)16-6-4-5-7-18(16)22-2)10-14-12-24(3)19-9-8-15(21)11-17(14)19/h4-9,11-13,22H,10H2,1-3H3,(H,23,25)
InChIKeyLZMUHMMPXVVZSL-UHFFFAOYSA-N
XLogP3.72
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]acetamide
CID 146094497
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46978008
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 92613685
N-[(2S)-1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626130
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154849963
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 46976195
N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
CID 154861063
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
2-(ethylamino)-1-(5-fluoro-1-methylindol-3-yl)propan-1-one
CID 162765604
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
methyl 2-[(6-fluoro-1-methylindol-3-yl)methyl]benzoate
CID 176550674

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide?
The IUPAC name of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide (CID 167819442) is N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide?
The canonical SMILES for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NC(C)Cc1cn(C)c2ccc(F)cc12.
What is the InChIKey of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide?
The InChIKey is LZMUHMMPXVVZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-13(23-20(25)16-6-4-5-7-18(16)22-2)10-14-12-24(3)19-9-8-15(21)11-17(14)19/h4-9,11-13,22H,10H2,1-3H3,(H,23,25).
What are the key properties of N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide?
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide has a molecular weight of 339.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide is sourced from PubChem (CID 167819442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).