N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide

C11H13N5O — CID 110499379

IUPACN-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2nn[nH]n2)c1C
InChIInChI=1S/C11H13N5O/c1-7-4-3-5-9(8(7)2)12-11(17)6-10-13-15-16-14-10/h3-5H,6H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyQLBCGNFBCFNWEQ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.00
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499379) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499379
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2nn[nH]n2)c1C
InChIInChI=1S/C11H13N5O/c1-7-4-3-5-9(8(7)2)12-11(17)6-10-13-15-16-14-10/h3-5H,6H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyQLBCGNFBCFNWEQ-UHFFFAOYSA-N
XLogP1.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(3-methyl-2-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499525
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325
N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168975
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499379) is N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide is Cc1cccc(NC(=O)Cc2nn[nH]n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is QLBCGNFBCFNWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-4-3-5-9(8(7)2)12-11(17)6-10-13-15-16-14-10/h3-5H,6H2,1-2H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 231.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).