2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide

C8H5ClFN5O — CID 2402645

IUPAC2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(F)cc1Cl
InChIInChI=1S/C8H5ClFN5O/c9-6-3-4(10)1-2-5(6)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16)
InChIKeyPOOXOJHDCIZPQA-UHFFFAOYSA-N
MW241.61 g/mol
LogP1.24
Rot. Bonds2

About 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide

2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 2402645) has the molecular formula C8H5ClFN5O and a molecular weight of 241.61 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide
PubChem CID2402645
Molecular FormulaC8H5ClFN5O
Molecular Weight241.61 g/mol
Exact Mass241.02
IUPAC Name2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1ccc(F)cc1Cl
InChIInChI=1S/C8H5ClFN5O/c9-6-3-4(10)1-2-5(6)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16)
InChIKeyPOOXOJHDCIZPQA-UHFFFAOYSA-N
XLogP1.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.61
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide 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-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide (CID 2402645) is 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is POOXOJHDCIZPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN5O/c9-6-3-4(10)1-2-5(6)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16).
What are the key properties of 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide?
2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 241.61 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 2402645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).