2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide

C19H19Cl2N5O2 — CID 3136442

IUPAC2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESCCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H19Cl2N5O2/c1-2-3-10-28-15-7-4-13(5-8-15)19-23-25-26(24-19)12-18(27)22-14-6-9-16(20)17(21)11-14/h4-9,11H,2-3,10,12H2,1H3,(H,22,27)
InChIKeyXOVHQAFTCAJURC-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.46
Rot. Bonds8

About 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide

2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 3136442) has the molecular formula C19H19Cl2N5O2 and a molecular weight of 420.30 g/mol. Its IUPAC name is 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
PubChem CID3136442
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.30 g/mol
Exact Mass419.09
IUPAC Name2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide
SMILESCCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H19Cl2N5O2/c1-2-3-10-28-15-7-4-13(5-8-15)19-23-25-26(24-19)12-18(27)22-14-6-9-16(20)17(21)11-14/h4-9,11H,2-3,10,12H2,1H3,(H,22,27)
InChIKeyXOVHQAFTCAJURC-UHFFFAOYSA-N
XLogP4.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3166708
N-(3,5-dimethylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
CID 3171708
N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 1146774
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3166714
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 7465690
2-[5-[4-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]phenyl]tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 1448588
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 644791
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide (CID 3136442) is 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide is CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is XOVHQAFTCAJURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O2/c1-2-3-10-28-15-7-4-13(5-8-15)19-23-25-26(24-19)12-18(27)22-14-6-9-16(20)17(21)11-14/h4-9,11H,2-3,10,12H2,1H3,(H,22,27).
What are the key properties of 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide?
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 420.30 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-butoxyphenyl)tetrazol-2-yl]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 3136442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).