N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C18H13ClN6O2 — CID 16799263

IUPACN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H13ClN6O2/c19-11-5-7-12(8-6-11)25-16(22-23-24-25)10-21-18(27)17(26)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H,21,27)
InChIKeyJEHWPUVPTDBHQA-UHFFFAOYSA-N
MW380.80 g/mol
LogP2.30
Rot. Bonds5

About N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 16799263) has the molecular formula C18H13ClN6O2 and a molecular weight of 380.80 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID16799263
Molecular FormulaC18H13ClN6O2
Molecular Weight380.80 g/mol
Exact Mass380.08
IUPAC NameN-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESO=C(NCc1nnnn1-c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H13ClN6O2/c19-11-5-7-12(8-6-11)25-16(22-23-24-25)10-21-18(27)17(26)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H,21,27)
InChIKeyJEHWPUVPTDBHQA-UHFFFAOYSA-N
XLogP2.30
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2226536
N-(3-(1H-imidazol-1-yl)propyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7080788
N-[(2-chlorophenyl)methyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2987829
N-(4-chlorobenzyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304328
1-(5-chloro-1H-indol-3-yl)-3-(2H-tetrazol-5-yl)propane-1,3-dione
CID 476408
N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 6484401
1h-Indole-2-carboxamide,5-chloro-n-[5-(1h-imidazol-1-yl)pentyl]-
CID 13752979
1h-Indole-2-carboxamide,5-chloro-n-[8-(1h-imidazol-1-yl)octyl]-
CID 13752980
1-[2-[1-[(4-chlorophenyl)methyl]indole-3-carbonyl]-1H-imidazol-5-yl]propan-1-one
CID 22022397
[1-(4-Chlorobenzyl)-1H-indol-3-yl]-[4-(pyridine-3-carbonyl)-1H-imidazol-2-yl]methanone
CID 22022399
N-(4-imidazol-1-ylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 52913893
N-(6-(4-Butanoyl-5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl)-5-chloro-1-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-1H-indole-3-carboxamide
CID 66575899

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 16799263) is N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is O=C(NCc1nnnn1-c1ccc(Cl)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is JEHWPUVPTDBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN6O2/c19-11-5-7-12(8-6-11)25-16(22-23-24-25)10-21-18(27)17(26)14-9-20-15-4-2-1-3-13(14)15/h1-9,20H,10H2,(H,21,27).
What are the key properties of N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 380.80 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 16799263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).