N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide

C12H15N5O — CID 110192441

IUPACN-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide
SMILESCCC(C)(NC(=O)c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C12H15N5O/c1-3-12(2,11-14-16-17-15-11)13-10(18)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyHJYJZAPXTYDKLD-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide

N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide (PubChem CID 110192441) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide
PubChem CID110192441
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide
SMILESCCC(C)(NC(=O)c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C12H15N5O/c1-3-12(2,11-14-16-17-15-11)13-10(18)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyHJYJZAPXTYDKLD-UHFFFAOYSA-N
XLogP1.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-benzamidobutan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 124736642
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 167957277
(E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide
CID 166312666
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]carbamoyl]benzoic acid
CID 97328440
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
N-[(2R)-3-ethyl-2-hydroxypentan-3-yl]benzamide
CID 40534992
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744

Frequently Asked Questions

What is the IUPAC name of N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide (CID 110192441) is N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide is CCC(C)(NC(=O)c1ccccc1)c1nn[nH]n1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
The InChIKey is HJYJZAPXTYDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-12(2,11-14-16-17-15-11)13-10(18)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide?
N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide has a molecular weight of 245.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)butan-2-yl]benzamide is sourced from PubChem (CID 110192441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).