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

C18H15ClN6O — CID 86206831

IUPACN-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCn1ccc2c(Cl)cccc21)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H15ClN6O/c19-15-5-3-7-16-13(15)8-10-24(16)11-9-20-18(26)14-4-1-2-6-17(14)25-12-21-22-23-25/h1-8,10,12H,9,11H2,(H,20,26)
InChIKeyACGCHBMOWWQDAB-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.70
Rot. Bonds5

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

N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 86206831) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID86206831
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC NameN-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCn1ccc2c(Cl)cccc21)c1ccccc1-n1cnnn1
InChIInChI=1S/C18H15ClN6O/c19-15-5-3-7-16-13(15)8-10-24(16)11-9-20-18(26)14-4-1-2-6-17(14)25-12-21-22-23-25/h1-8,10,12H,9,11H2,(H,20,26)
InChIKeyACGCHBMOWWQDAB-UHFFFAOYSA-N
XLogP2.70
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(6-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 56761302
4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 56761342
(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide
CID 125431413
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(tetrazol-1-yl)benzamide
CID 110887488
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 86206831) is N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide is O=C(NCCn1ccc2c(Cl)cccc21)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is ACGCHBMOWWQDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c19-15-5-3-7-16-13(15)8-10-24(16)11-9-20-18(26)14-4-1-2-6-17(14)25-12-21-22-23-25/h1-8,10,12H,9,11H2,(H,20,26).
What are the key properties of N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 366.81 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 86206831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).