N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride

C14H21ClN6O — CID 119607738

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C14H20N6O.ClH/c1-10(2)14(3,8-15)17-13(21)11-4-6-12(7-5-11)20-9-16-18-19-20;/h4-7,9-10H,8,15H2,1-3H3,(H,17,21);1H
InChIKeyPOEHEWGXBNDMMJ-UHFFFAOYSA-N
MW324.82 g/mol
LogP1.19
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 119607738) has the molecular formula C14H21ClN6O and a molecular weight of 324.82 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID119607738
Molecular FormulaC14H21ClN6O
Molecular Weight324.82 g/mol
Exact Mass324.15
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C14H20N6O.ClH/c1-10(2)14(3,8-15)17-13(21)11-4-6-12(7-5-11)20-9-16-18-19-20;/h4-7,9-10H,8,15H2,1-3H3,(H,17,21);1H
InChIKeyPOEHEWGXBNDMMJ-UHFFFAOYSA-N
XLogP1.19
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylbenzamide;hydrochloride
CID 119608679
N-(1-hydroxy-3-methylpentan-3-yl)-4-(tetrazol-1-yl)benzamide
CID 103945863
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119607404
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119608814
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119608141
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
CID 119608584
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 119607400

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride (CID 119607738) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1ccc(-n2cnnn2)cc1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is POEHEWGXBNDMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.ClH/c1-10(2)14(3,8-15)17-13(21)11-4-6-12(7-5-11)20-9-16-18-19-20;/h4-7,9-10H,8,15H2,1-3H3,(H,17,21);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 324.82 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119607738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).