N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C21H24FN5O2 — CID 8598220

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H24FN5O2/c1-21(2,3)16-6-10-18(11-7-16)29-13-12-23-19(28)14-27-25-20(24-26-27)15-4-8-17(22)9-5-15/h4-11H,12-14H2,1-3H3,(H,23,28)
InChIKeyRZARPMKQWFYZHH-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.97
Rot. Bonds7

About N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 8598220) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID8598220
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H24FN5O2/c1-21(2,3)16-6-10-18(11-7-16)29-13-12-23-19(28)14-27-25-20(24-26-27)15-4-8-17(22)9-5-15/h4-11H,12-14H2,1-3H3,(H,23,28)
InChIKeyRZARPMKQWFYZHH-UHFFFAOYSA-N
XLogP2.97
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.97
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-ethoxyphenyl)tetrazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3188672
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-phenoxyethyl)acetamide
CID 8586996
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 8598231
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 856763
N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3178631
N-[[(2R)-butan-2-yl]carbamoyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7713348
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-[2-(4-tert-butylphenoxy)ethyl]-5-(4-chlorophenyl)tetrazole
CID 2526533
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 8598220) is N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is CC(C)(C)c1ccc(OCCNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is RZARPMKQWFYZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-21(2,3)16-6-10-18(11-7-16)29-13-12-23-19(28)14-27-25-20(24-26-27)15-4-8-17(22)9-5-15/h4-11H,12-14H2,1-3H3,(H,23,28).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 397.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 8598220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).