2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide

C11H12N6O2 — CID 154945979

IUPAC2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide
SMILESCC(=O)NC(C(=O)Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H12N6O2/c1-7(18)12-9(8-5-3-2-4-6-8)10(19)13-11-14-16-17-15-11/h2-6,9H,1H3,(H,12,18)(H2,13,14,15,16,17,19)
InChIKeyMGSAZCZJWWRNAG-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.02
Rot. Bonds4

About 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide

2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 154945979) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide
PubChem CID154945979
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide
SMILESCC(=O)NC(C(=O)Nc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H12N6O2/c1-7(18)12-9(8-5-3-2-4-6-8)10(19)13-11-14-16-17-15-11/h2-6,9H,1H3,(H,12,18)(H2,13,14,15,16,17,19)
InChIKeyMGSAZCZJWWRNAG-UHFFFAOYSA-N
XLogP0.02
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide (CID 154945979) is 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide is CC(=O)NC(C(=O)Nc1nn[nH]n1)c1ccccc1.
What is the InChIKey of 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is MGSAZCZJWWRNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-7(18)12-9(8-5-3-2-4-6-8)10(19)13-11-14-16-17-15-11/h2-6,9H,1H3,(H,12,18)(H2,13,14,15,16,17,19).
What are the key properties of 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide?
2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 260.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-phenyl-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 154945979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).