N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide

C13H17ClN6O — CID 119997682

IUPACN-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
SMILESCC(CN)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H17ClN6O/c1-9(6-15)7-16-12(21)8-20-18-13(17-19-20)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3,(H,16,21)
InChIKeyQBWYFGNCWHQAOG-UHFFFAOYSA-N
MW308.77 g/mol
LogP0.70
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide

N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 119997682) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
PubChem CID119997682
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC NameN-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
SMILESCC(CN)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H17ClN6O/c1-9(6-15)7-16-12(21)8-20-18-13(17-19-20)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3,(H,16,21)
InChIKeyQBWYFGNCWHQAOG-UHFFFAOYSA-N
XLogP0.70
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-(1-aminohexan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 119667427
N-(1-aminopropan-2-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-methylacetamide
CID 119583894
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7630778
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide
CID 46608299
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 78834489
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide (CID 119997682) is N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide is CC(CN)CNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is QBWYFGNCWHQAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-9(6-15)7-16-12(21)8-20-18-13(17-19-20)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3,(H,16,21).
What are the key properties of N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 308.77 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 119997682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).