N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride

C16H20Cl2N6O — CID 119458083

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
SMILESCl.O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H19ClN6O.ClH/c17-11-3-1-10(2-4-11)16-20-22-23(21-16)9-15(24)19-14-7-12-5-6-13(8-14)18-12;/h1-4,12-14,18H,5-9H2,(H,19,24);1H
InChIKeyRHFFUJFNRYPJDL-UHFFFAOYSA-N
MW383.28 g/mol
LogP1.81
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride (PubChem CID 119458083) has the molecular formula C16H20Cl2N6O and a molecular weight of 383.28 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
PubChem CID119458083
Molecular FormulaC16H20Cl2N6O
Molecular Weight383.28 g/mol
Exact Mass382.11
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
SMILESCl.O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CC2CCC(C1)N2
InChIInChI=1S/C16H19ClN6O.ClH/c17-11-3-1-10(2-4-11)16-20-22-23(21-16)9-15(24)19-14-7-12-5-6-13(8-14)18-12;/h1-4,12-14,18H,5-9H2,(H,19,24);1H
InChIKeyRHFFUJFNRYPJDL-UHFFFAOYSA-N
XLogP1.81
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride with MolForge

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Related Compounds

cis-(1R,3S)-3-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678264
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110164165
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4825781
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylpiperidin-3-yl)acetamide
CID 120575453
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120944477
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-cyclopentyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
CID 3179691
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 120602010
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536552
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(6-cyclopropyl-2-pyridinyl)acetamide
CID 138042768

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride (CID 119458083) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride is Cl.O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
The InChIKey is RHFFUJFNRYPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O.ClH/c17-11-3-1-10(2-4-11)16-20-22-23(21-16)9-15(24)19-14-7-12-5-6-13(8-14)18-12;/h1-4,12-14,18H,5-9H2,(H,19,24);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride has a molecular weight of 383.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119458083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).