N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide

C11H12ClN5O — CID 110500376

IUPACN-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cc1nnnn1C
InChIInChI=1S/C11H12ClN5O/c1-7-5-8(12)3-4-9(7)13-11(18)6-10-14-15-16-17(10)2/h3-5H,6H2,1-2H3,(H,13,18)
InChIKeySEVVKILTJMJHLW-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.35
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide

N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110500376) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110500376
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cc1nnnn1C
InChIInChI=1S/C11H12ClN5O/c1-7-5-8(12)3-4-9(7)13-11(18)6-10-14-15-16-17(10)2/h3-5H,6H2,1-2H3,(H,13,18)
InChIKeySEVVKILTJMJHLW-UHFFFAOYSA-N
XLogP1.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide (CID 110500376) is N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)Cc1nnnn1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is SEVVKILTJMJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-7-5-8(12)3-4-9(7)13-11(18)6-10-14-15-16-17(10)2/h3-5H,6H2,1-2H3,(H,13,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110500376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).