N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide

C11H13N5O — CID 110499439

IUPACN-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-2-8-3-5-9(6-4-8)12-11(17)7-10-13-15-16-14-10/h3-6H,2,7H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyWAVWCZZUEIAUDM-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.94
Rot. Bonds4

About N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499439) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499439
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCCc1ccc(NC(=O)Cc2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O/c1-2-8-3-5-9(6-4-8)12-11(17)7-10-13-15-16-14-10/h3-6H,2,7H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyWAVWCZZUEIAUDM-UHFFFAOYSA-N
XLogP0.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370
N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499477
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499506
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595
N-(4-ethylphenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47259711
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499439) is N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide is CCc1ccc(NC(=O)Cc2nn[nH]n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is WAVWCZZUEIAUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-8-3-5-9(6-4-8)12-11(17)7-10-13-15-16-14-10/h3-6H,2,7H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).