N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide

C13H17N5O2 — CID 79252952

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H17N5O2/c1-8(2)11(7-19)14-13(20)10-5-3-4-9(6-10)12-15-17-18-16-12/h3-6,8,11,19H,7H2,1-2H3,(H,14,20)(H,15,16,17,18)
InChIKeyVXBSGAUBMXRYFL-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.61
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide

N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 79252952) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID79252952
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H17N5O2/c1-8(2)11(7-19)14-13(20)10-5-3-4-9(6-10)12-15-17-18-16-12/h3-6,8,11,19H,7H2,1-2H3,(H,14,20)(H,15,16,17,18)
InChIKeyVXBSGAUBMXRYFL-UHFFFAOYSA-N
XLogP0.61
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
2-cyclopropyl-2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 62695358
N-(3-amino-2-hydroxy-3-oxopropyl)-3-(2H-tetrazol-5-yl)benzamide
CID 106166243
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072
methyl 4-methyl-3-[[6-(2H-tetrazol-5-yl)naphthalene-2-carbonyl]amino]pentanoate
CID 167764158
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
5-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-carboxamide
CID 58833168
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(1-methylimidazo[2,1-e]pyrazol-7-yl)benzamide
CID 169420600
N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide (CID 79252952) is N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide is CC(C)C(CO)NC(=O)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is VXBSGAUBMXRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(2)11(7-19)14-13(20)10-5-3-4-9(6-10)12-15-17-18-16-12/h3-6,8,11,19H,7H2,1-2H3,(H,14,20)(H,15,16,17,18).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 79252952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).