N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride

C12H17ClN6O — CID 119627787

IUPACN-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(-n2cnnn2)c1.Cl
InChIInChI=1S/C12H16N6O.ClH/c1-12(2,13)7-14-11(19)9-4-3-5-10(6-9)18-8-15-16-17-18;/h3-6,8H,7,13H2,1-2H3,(H,14,19);1H
InChIKeyBJQZQVANPSNWDJ-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.55
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 119627787) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID119627787
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC NameN-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1cccc(-n2cnnn2)c1.Cl
InChIInChI=1S/C12H16N6O.ClH/c1-12(2,13)7-14-11(19)9-4-3-5-10(6-9)18-8-15-16-17-18;/h3-6,8H,7,13H2,1-2H3,(H,14,19);1H
InChIKeyBJQZQVANPSNWDJ-UHFFFAOYSA-N
XLogP0.55
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119630093
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
N-[(2R)-2-(ethylamino)propyl]-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120653140
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[(2R)-2-phenylpropyl]-3-(tetrazol-1-yl)benzamide
CID 93240510
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-(2-amino-2-methylpropyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119630682
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
CID 31303419
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride (CID 119627787) is N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride is CC(C)(N)CNC(=O)c1cccc(-n2cnnn2)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is BJQZQVANPSNWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O.ClH/c1-12(2,13)7-14-11(19)9-4-3-5-10(6-9)18-8-15-16-17-18;/h3-6,8H,7,13H2,1-2H3,(H,14,19);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 296.76 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119627787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).