N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

C17H18N6O — CID 36912531

IUPACN-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1ccccc1NC(=O)CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C17H18N6O/c1-12-6-3-4-9-16(12)19-17(24)11-18-14-7-5-8-15(10-14)23-13(2)20-21-22-23/h3-10,18H,11H2,1-2H3,(H,19,24)
InChIKeyXATYBNSPDHCLLN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.33
Rot. Bonds5

About N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (PubChem CID 36912531) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
PubChem CID36912531
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1ccccc1NC(=O)CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C17H18N6O/c1-12-6-3-4-9-16(12)19-17(24)11-18-14-7-5-8-15(10-14)23-13(2)20-21-22-23/h3-10,18H,11H2,1-2H3,(H,19,24)
InChIKeyXATYBNSPDHCLLN-UHFFFAOYSA-N
XLogP2.33
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (CID 36912531) is N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is Cc1ccccc1NC(=O)CNc1cccc(-n2nnnc2C)c1.
What is the InChIKey of N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The InChIKey is XATYBNSPDHCLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-6-3-4-9-16(12)19-17(24)11-18-14-7-5-8-15(10-14)23-13(2)20-21-22-23/h3-10,18H,11H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 36912531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).