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

C14H18ClN5O — CID 51089388

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClN5O/c1-9-5-6-11(10(15)7-9)16-12(21)8-20-13(14(2,3)4)17-18-19-20/h5-7H,8H2,1-4H3,(H,16,21)
InChIKeyOXUOSJJKPYOCEA-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.57
Rot. Bonds3

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

2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 51089388) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID51089388
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)c(Cl)c1
InChIInChI=1S/C14H18ClN5O/c1-9-5-6-11(10(15)7-9)16-12(21)8-20-13(14(2,3)4)17-18-19-20/h5-7H,8H2,1-4H3,(H,16,21)
InChIKeyOXUOSJJKPYOCEA-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-tert-butyltetrazol-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 60548379
diethyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 6619290
2-(5-tert-butyltetrazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 47256348
N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66215979
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-N-(2,4-difluorophenyl)-5-methyltriazole-4-carboxamide
CID 53335365
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
N-(2-chloro-4-methylphenyl)-2-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5275184
N-(4-bromo-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-1-yl]acetamide
CID 9421150
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-chloro-4-methylphenyl)-5-methyl-1-[2-(3-methylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 53365946
1-[2-(4-bromoanilino)-2-oxoethyl]-N-(2-chloro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53335107

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide (CID 51089388) is 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnnc2C(C)(C)C)c(Cl)c1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is OXUOSJJKPYOCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9-5-6-11(10(15)7-9)16-12(21)8-20-13(14(2,3)4)17-18-19-20/h5-7H,8H2,1-4H3,(H,16,21).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 307.79 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 51089388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).