N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide

C13H17ClN6O — CID 119583894

IUPACN-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H17ClN6O/c1-9(7-15)19(2)12(21)8-20-17-13(16-18-20)10-3-5-11(14)6-4-10/h3-6,9H,7-8,15H2,1-2H3
InChIKeyIFDGHYUIXIJQOY-UHFFFAOYSA-N
MW308.77 g/mol
LogP0.80
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide

N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide (PubChem CID 119583894) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
PubChem CID119583894
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC NameN-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCC(CN)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H17ClN6O/c1-9(7-15)19(2)12(21)8-20-17-13(16-18-20)10-3-5-11(14)6-4-10/h3-6,9H,7-8,15H2,1-2H3
InChIKeyIFDGHYUIXIJQOY-UHFFFAOYSA-N
XLogP0.80
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 78866079
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 119997682
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 42016405
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119667427
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide
CID 46608299
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 31129926
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 84603611
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N'-hydroxyethanimidamide
CID 3177752
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2569152

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide (CID 119583894) is N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide is CC(CN)N(C)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide?
The InChIKey is IFDGHYUIXIJQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-9(7-15)19(2)12(21)8-20-17-13(16-18-20)10-3-5-11(14)6-4-10/h3-6,9H,7-8,15H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide has a molecular weight of 308.77 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 119583894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).