(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one

C19H18F2N2O — CID 8688138

IUPAC(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@H](N[C@@H](C)c1ccc(F)cc1F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18F2N2O/c1-11(14-8-7-13(20)9-17(14)21)23-12(2)19(24)16-10-22-18-6-4-3-5-15(16)18/h3-12,22-23H,1-2H3/t11-,12-/m0/s1
InChIKeyWOQZBJZVYWRTTK-RYUDHWBXSA-N
MW328.36 g/mol
LogP4.37
Rot. Bonds5

About (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one

(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one (PubChem CID 8688138) has the molecular formula C19H18F2N2O and a molecular weight of 328.36 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one
PubChem CID8688138
Molecular FormulaC19H18F2N2O
Molecular Weight328.36 g/mol
Exact Mass328.14
IUPAC Name(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@H](N[C@@H](C)c1ccc(F)cc1F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18F2N2O/c1-11(14-8-7-13(20)9-17(14)21)23-12(2)19(24)16-10-22-18-6-4-3-5-15(16)18/h3-12,22-23H,1-2H3/t11-,12-/m0/s1
InChIKeyWOQZBJZVYWRTTK-RYUDHWBXSA-N
XLogP4.37
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one with MolForge

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Related Compounds

(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 9369046
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7964667
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
2,4-difluoro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243582
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
CID 31443537
(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one
CID 8864137
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103
N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 31977116

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one (CID 8688138) is (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one is C[C@H](N[C@@H](C)c1ccc(F)cc1F)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is WOQZBJZVYWRTTK-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H18F2N2O/c1-11(14-8-7-13(20)9-17(14)21)23-12(2)19(24)16-10-22-18-6-4-3-5-15(16)18/h3-12,22-23H,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one?
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 328.36 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 8688138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).