(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium

C19H20ClN2O+ — CID 8540485

IUPAC(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)c1c[nH]c2ccccc12)[NH+](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/p+1/t13-/m1/s1
InChIKeySCWUOEHFZAKIFO-CYBMUJFWSA-O
MW327.84 g/mol
LogP3.11
Rot. Bonds5

About (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium

(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium (PubChem CID 8540485) has the molecular formula C19H20ClN2O+ and a molecular weight of 327.84 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
PubChem CID8540485
Molecular FormulaC19H20ClN2O+
Molecular Weight327.84 g/mol
Exact Mass327.13
IUPAC Name(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)c1c[nH]c2ccccc12)[NH+](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/p+1/t13-/m1/s1
InChIKeySCWUOEHFZAKIFO-CYBMUJFWSA-O
XLogP3.11
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(1H-indol-3-yl)propan-1-one
CID 8540477
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
CID 8810245
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804430
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913527
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium
CID 8843041
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827101
(2R)-2-(2-chlorophenoxy)-1-(1H-indol-3-yl)propan-1-one
CID 7815825
(2S)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 7624014
(2R)-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 7624016
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8791398

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium (CID 8540485) is (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium is C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+](C)Cc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is SCWUOEHFZAKIFO-CYBMUJFWSA-O. 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/p+1/t13-/m1/s1.
What are the key properties of (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium?
(4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 327.84 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 8540485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).