N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide

C16H12N6O — CID 71705732

IUPACN-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12N6O/c23-16(19-15-6-2-5-14-13(15)7-8-17-14)11-3-1-4-12(9-11)22-10-18-20-21-22/h1-10,17H,(H,19,23)
InChIKeyHKMXMMYVYIITSN-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.40
Rot. Bonds3

About N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide

N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 71705732) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID71705732
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC NameN-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12N6O/c23-16(19-15-6-2-5-14-13(15)7-8-17-14)11-3-1-4-12(9-11)22-10-18-20-21-22/h1-10,17H,(H,19,23)
InChIKeyHKMXMMYVYIITSN-UHFFFAOYSA-N
XLogP2.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(1H-indol-4-yl)-3-nitrobenzamide
CID 57067531
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 55700294
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638
N-[4-(diethylamino)phenyl]-3-(tetrazol-1-yl)benzamide
CID 22110521
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 862161

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide (CID 71705732) is N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1cccc2[nH]ccc12)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is HKMXMMYVYIITSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c23-16(19-15-6-2-5-14-13(15)7-8-17-14)11-3-1-4-12(9-11)22-10-18-20-21-22/h1-10,17H,(H,19,23).
What are the key properties of N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide?
N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 71705732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).