(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide

C17H15Cl2N3O — CID 22691619

IUPAC(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N3O/c18-12-5-3-6-13(19)16(12)22-17(23)14(20)8-10-9-21-15-7-2-1-4-11(10)15/h1-7,9,14,21H,8,20H2,(H,22,23)/t14-/m0/s1
InChIKeyYRYFLVHMXHYDOM-AWEZNQCLSA-N
MW348.23 g/mol
LogP3.98
Rot. Bonds4

About (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide

(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 22691619) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID22691619
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2N3O/c18-12-5-3-6-13(19)16(12)22-17(23)14(20)8-10-9-21-15-7-2-1-4-11(10)15/h1-7,9,14,21H,8,20H2,(H,22,23)/t14-/m0/s1
InChIKeyYRYFLVHMXHYDOM-AWEZNQCLSA-N
XLogP3.98
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]benzamide
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bis((2R)-2-amino-N-hydroxy-3-(1H-indol-3-yl)propanamide);cobalt(2+);diperchlorate;hydrate
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(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide (CID 22691619) is (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is YRYFLVHMXHYDOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-12-5-3-6-13(19)16(12)22-17(23)14(20)8-10-9-21-15-7-2-1-4-11(10)15/h1-7,9,14,21H,8,20H2,(H,22,23)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide?
(2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 348.23 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,6-dichlorophenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 22691619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).