2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide

C16H22ClN5O2 — CID 51253386

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5O2/c1-3-14(16(23)18-10-5-11-24-4-2)22-20-15(19-21-22)12-6-8-13(17)9-7-12/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,23)
InChIKeyAQLHLUGRZRUCIS-UHFFFAOYSA-N
MW351.84 g/mol
LogP2.49
Rot. Bonds9

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide (PubChem CID 51253386) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
PubChem CID51253386
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
SMILESCCOCCCNC(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H22ClN5O2/c1-3-14(16(23)18-10-5-11-24-4-2)22-20-15(19-21-22)12-6-8-13(17)9-7-12/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,23)
InChIKeyAQLHLUGRZRUCIS-UHFFFAOYSA-N
XLogP2.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide (CID 51253386) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide is CCOCCCNC(=O)C(CC)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide?
The InChIKey is AQLHLUGRZRUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c1-3-14(16(23)18-10-5-11-24-4-2)22-20-15(19-21-22)12-6-8-13(17)9-7-12/h6-9,14H,3-5,10-11H2,1-2H3,(H,18,23).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide has a molecular weight of 351.84 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide is sourced from PubChem (CID 51253386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).