(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one

C19H19ClN2O — CID 8540477

IUPAC(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c1-13(22(2)12-14-7-9-15(20)10-8-14)19(23)17-11-21-18-6-4-3-5-16(17)18/h3-11,13,21H,12H2,1-2H3/t13-/m0/s1
InChIKeySCWUOEHFZAKIFO-ZDUSSCGKSA-N
MW326.83 g/mol
LogP4.52
Rot. Bonds5

About (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one

(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one (PubChem CID 8540477) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
PubChem CID8540477
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O/c1-13(22(2)12-14-7-9-15(20)10-8-14)19(23)17-11-21-18-6-4-3-5-16(17)18/h3-11,13,21H,12H2,1-2H3/t13-/m0/s1
InChIKeySCWUOEHFZAKIFO-ZDUSSCGKSA-N
XLogP4.52
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(1H-indol-3-yl)-2-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 8925594
(2S)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8787115
4-[[[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34640796
(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8540485
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8774768
(2R)-2-(2-chlorophenoxy)-1-(1H-indol-3-yl)propan-1-one
CID 7815825
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 16568385
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827101
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one (CID 8540477) is (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one is C[C@@H](C(=O)c1c[nH]c2ccccc12)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is SCWUOEHFZAKIFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13(22(2)12-14-7-9-15(20)10-8-14)19(23)17-11-21-18-6-4-3-5-16(17)18/h3-11,13,21H,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one?
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 326.83 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 8540477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).