[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium

C20H23ClN3O+ — CID 8645172

IUPAC[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
SMILESCNC(=O)[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22ClN3O/c1-13(20(25)22-2)23-11-16(14-7-3-5-9-18(14)21)17-12-24-19-10-6-4-8-15(17)19/h3-10,12-13,16,23-24H,11H2,1-2H3,(H,22,25)/p+1/t13-,16+/m0/s1
InChIKeyVVKDXSXGZGNXDZ-XJKSGUPXSA-O
MW356.88 g/mol
LogP2.65
Rot. Bonds6

About [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium

[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium (PubChem CID 8645172) has the molecular formula C20H23ClN3O+ and a molecular weight of 356.88 g/mol. Its IUPAC name is [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
PubChem CID8645172
Molecular FormulaC20H23ClN3O+
Molecular Weight356.88 g/mol
Exact Mass356.15
IUPAC Name[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
SMILESCNC(=O)[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H22ClN3O/c1-13(20(25)22-2)23-11-16(14-7-3-5-9-18(14)21)17-12-24-19-10-6-4-8-15(17)19/h3-10,12-13,16,23-24H,11H2,1-2H3,(H,22,25)/p+1/t13-,16+/m0/s1
InChIKeyVVKDXSXGZGNXDZ-XJKSGUPXSA-O
XLogP2.65
TPSA61.50 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645174
[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645167
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 8645346
(2S)-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-N-propan-2-ylpropanamide
CID 8645196
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645145
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
(3R)-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propan-1-ol
CID 45101575
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8514152
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium (CID 8645172) is [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium is CNC(=O)[C@H](C)[NH2+]C[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is VVKDXSXGZGNXDZ-XJKSGUPXSA-O. The full InChI is InChI=1S/C20H22ClN3O/c1-13(20(25)22-2)23-11-16(14-7-3-5-9-18(14)21)17-12-24-19-10-6-4-8-15(17)19/h3-10,12-13,16,23-24H,11H2,1-2H3,(H,22,25)/p+1/t13-,16+/m0/s1.
What are the key properties of [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium?
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 356.88 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 8645172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).