4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide

C18H15ClN6O — CID 56761342

IUPAC4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C18H15ClN6O/c19-14-5-6-15(17(11-14)25-12-21-22-23-25)18(26)20-8-10-24-9-7-13-3-1-2-4-16(13)24/h1-7,9,11-12H,8,10H2,(H,20,26)
InChIKeyZZIPSIQHJWRKAQ-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.70
Rot. Bonds5

About 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide

4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 56761342) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
PubChem CID56761342
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C18H15ClN6O/c19-14-5-6-15(17(11-14)25-12-21-22-23-25)18(26)20-8-10-24-9-7-13-3-1-2-4-16(13)24/h1-7,9,11-12H,8,10H2,(H,20,26)
InChIKeyZZIPSIQHJWRKAQ-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-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 75490916
N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 86206831
N-[2-(6-chloroindol-1-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 53369220
2,4-dichloro-N-(3-indol-1-ylpropyl)benzamide
CID 25355760
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
N-(2-indol-1-ylethyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 56762296
5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide (CID 56761342) is 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide is O=C(NCCn1ccc2ccccc21)c1ccc(Cl)cc1-n1cnnn1.
What is the InChIKey of 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is ZZIPSIQHJWRKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c19-14-5-6-15(17(11-14)25-12-21-22-23-25)18(26)20-8-10-24-9-7-13-3-1-2-4-16(13)24/h1-7,9,11-12H,8,10H2,(H,20,26).
What are the key properties of 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide?
4-chloro-N-(2-indol-1-ylethyl)-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 4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 56761342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).