(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide

C14H15ClN6O — CID 125431413

IUPAC(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCCn1ccc2c(Cl)cccc21)n1cnnn1
InChIInChI=1S/C14H15ClN6O/c1-10(21-9-17-18-19-21)14(22)16-6-8-20-7-5-11-12(15)3-2-4-13(11)20/h2-5,7,9-10H,6,8H2,1H3,(H,16,22)/t10-/m0/s1
InChIKeyPLRLCDCAMUZTJY-JTQLQIEISA-N
MW318.77 g/mol
LogP1.66
Rot. Bonds5

About (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide

(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide (PubChem CID 125431413) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide
PubChem CID125431413
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide
SMILESC[C@@H](C(=O)NCCn1ccc2c(Cl)cccc21)n1cnnn1
InChIInChI=1S/C14H15ClN6O/c1-10(21-9-17-18-19-21)14(22)16-6-8-20-7-5-11-12(15)3-2-4-13(11)20/h2-5,7,9-10H,6,8H2,1H3,(H,16,22)/t10-/m0/s1
InChIKeyPLRLCDCAMUZTJY-JTQLQIEISA-N
XLogP1.66
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide (CID 125431413) is (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide is C[C@@H](C(=O)NCCn1ccc2c(Cl)cccc21)n1cnnn1.
What is the InChIKey of (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide?
The InChIKey is PLRLCDCAMUZTJY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-10(21-9-17-18-19-21)14(22)16-6-8-20-7-5-11-12(15)3-2-4-13(11)20/h2-5,7,9-10H,6,8H2,1H3,(H,16,22)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide?
(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide has a molecular weight of 318.77 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 125431413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).