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

C20H20F2N2O — CID 9369046

IUPAC(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O/c1-11(15-9-8-14(21)10-17(15)22)23-13(3)20(25)19-12(2)24-18-7-5-4-6-16(18)19/h4-11,13,23-24H,1-3H3/t11-,13-/m1/s1
InChIKeyKEUNEQPXCCISTO-DGCLKSJQSA-N
MW342.39 g/mol
LogP4.68
Rot. Bonds5

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

(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 9369046) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID9369046
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O/c1-11(15-9-8-14(21)10-17(15)22)23-13(3)20(25)19-12(2)24-18-7-5-4-6-16(18)19/h4-11,13,23-24H,1-3H3/t11-,13-/m1/s1
InChIKeyKEUNEQPXCCISTO-DGCLKSJQSA-N
XLogP4.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 9375847
(2S)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-1-(1H-indol-3-yl)propan-1-one
CID 8688138
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-1-one
CID 8689164
(2S)-2-chloro-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 2405282
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8755570
(3-fluorophenyl)methyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8908953
(2-chloro-4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methanone
CID 43339219
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-cyclopropyl-2-[1-(2,4-difluorophenyl)ethylamino]propanamide
CID 78754103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one (CID 9369046) is (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is KEUNEQPXCCISTO-DGCLKSJQSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-11(15-9-8-14(21)10-17(15)22)23-13(3)20(25)19-12(2)24-18-7-5-4-6-16(18)19/h4-11,13,23-24H,1-3H3/t11-,13-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one?
(2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 342.39 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 9369046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).