2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide

C12H12F3N5O — CID 99605218

IUPAC2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESC[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)c1nn[nH]n1
InChIInChI=1S/C12H12F3N5O/c1-6(11-16-18-19-17-11)5-20(2)12(21)7-3-4-8(13)10(15)9(7)14/h3-4,6H,5H2,1-2H3,(H,16,17,18,19)/t6-/m1/s1
InChIKeyDBBJBNYENKPGDS-ZCFIWIBFSA-N
MW299.26 g/mol
LogP1.49
Rot. Bonds4

About 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide

2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide (PubChem CID 99605218) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
PubChem CID99605218
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide
SMILESC[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)c1nn[nH]n1
InChIInChI=1S/C12H12F3N5O/c1-6(11-16-18-19-17-11)5-20(2)12(21)7-3-4-8(13)10(15)9(7)14/h3-4,6H,5H2,1-2H3,(H,16,17,18,19)/t6-/m1/s1
InChIKeyDBBJBNYENKPGDS-ZCFIWIBFSA-N
XLogP1.49
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]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 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide (CID 99605218) is 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide is C[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)c1nn[nH]n1.
What is the InChIKey of 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
The InChIKey is DBBJBNYENKPGDS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-6(11-16-18-19-17-11)5-20(2)12(21)7-3-4-8(13)10(15)9(7)14/h3-4,6H,5H2,1-2H3,(H,16,17,18,19)/t6-/m1/s1.
What are the key properties of 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide?
2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide has a molecular weight of 299.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]benzamide is sourced from PubChem (CID 99605218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).