N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide

C21H31F2N5O — CID 19036057

IUPACN-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide
SMILESCCCCCCCCCCCCc1nnn(CC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C21H31F2N5O/c1-2-3-4-5-6-7-8-9-10-11-12-20-25-27-28(26-20)16-21(29)24-19-14-13-17(22)15-18(19)23/h13-15H,2-12,16H2,1H3,(H,24,29)
InChIKeyLEZIAJGFEVLNPA-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.05
Rot. Bonds14

About N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide

N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide (PubChem CID 19036057) has the molecular formula C21H31F2N5O and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide
PubChem CID19036057
Molecular FormulaC21H31F2N5O
Molecular Weight407.51 g/mol
Exact Mass407.25
IUPAC NameN-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide
SMILESCCCCCCCCCCCCc1nnn(CC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C21H31F2N5O/c1-2-3-4-5-6-7-8-9-10-11-12-20-25-27-28(26-20)16-21(29)24-19-14-13-17(22)15-18(19)23/h13-15H,2-12,16H2,1H3,(H,24,29)
InChIKeyLEZIAJGFEVLNPA-UHFFFAOYSA-N
XLogP5.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide (CID 19036057) is N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide is CCCCCCCCCCCCc1nnn(CC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide?
The InChIKey is LEZIAJGFEVLNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N5O/c1-2-3-4-5-6-7-8-9-10-11-12-20-25-27-28(26-20)16-21(29)24-19-14-13-17(22)15-18(19)23/h13-15H,2-12,16H2,1H3,(H,24,29).
What are the key properties of N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide?
N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 5.05, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(5-dodecyltetrazol-2-yl)acetamide is sourced from PubChem (CID 19036057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).