N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide

C18H15ClN6O — CID 53369220

IUPACN-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCn1ccc2ccc(Cl)cc21)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H15ClN6O/c19-15-4-1-13-7-9-24(17(13)11-15)10-8-20-18(26)14-2-5-16(6-3-14)25-12-21-22-23-25/h1-7,9,11-12H,8,10H2,(H,20,26)
InChIKeyFOVMAEYLNRKGPL-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.70
Rot. Bonds5

About N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide

N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 53369220) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID53369220
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC NameN-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCn1ccc2ccc(Cl)cc21)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H15ClN6O/c19-15-4-1-13-7-9-24(17(13)11-15)10-8-20-18(26)14-2-5-16(6-3-14)25-12-21-22-23-25/h1-7,9,11-12H,8,10H2,(H,20,26)
InChIKeyFOVMAEYLNRKGPL-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
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 51087437
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 53369220) is N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide is O=C(NCCn1ccc2ccc(Cl)cc21)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is FOVMAEYLNRKGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c19-15-4-1-13-7-9-24(17(13)11-15)10-8-20-18(26)14-2-5-16(6-3-14)25-12-21-22-23-25/h1-7,9,11-12H,8,10H2,(H,20,26).
What are the key properties of N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(6-chloroindol-1-yl)ethyl]-4-(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-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 53369220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).