2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide

C12H13F2N5O2 — CID 154845118

IUPAC2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide
SMILESCCn1nnnc1NC(=O)C(OC)c1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N5O2/c1-3-19-12(16-17-18-19)15-11(20)10(21-2)7-4-8(13)6-9(14)5-7/h4-6,10H,3H2,1-2H3,(H,15,16,18,20)
InChIKeyKEWNAPHDACQHGD-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.30
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide

2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide (PubChem CID 154845118) has the molecular formula C12H13F2N5O2 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide
PubChem CID154845118
Molecular FormulaC12H13F2N5O2
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide
SMILESCCn1nnnc1NC(=O)C(OC)c1cc(F)cc(F)c1
InChIInChI=1S/C12H13F2N5O2/c1-3-19-12(16-17-18-19)15-11(20)10(21-2)7-4-8(13)6-9(14)5-7/h4-6,10H,3H2,1-2H3,(H,15,16,18,20)
InChIKeyKEWNAPHDACQHGD-UHFFFAOYSA-N
XLogP1.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide 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 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide (CID 154845118) is 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide is CCn1nnnc1NC(=O)C(OC)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide?
The InChIKey is KEWNAPHDACQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O2/c1-3-19-12(16-17-18-19)15-11(20)10(21-2)7-4-8(13)6-9(14)5-7/h4-6,10H,3H2,1-2H3,(H,15,16,18,20).
What are the key properties of 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide?
2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide has a molecular weight of 297.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(1-ethyltetrazol-5-yl)-2-methoxyacetamide is sourced from PubChem (CID 154845118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).