2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide

C16H14FN5O — CID 71710335

IUPAC2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(C(=O)Nc1nn[nH]n1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H14FN5O/c1-10(15(23)18-16-19-21-22-20-16)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19,20,21,22,23)
InChIKeyVSKWATYURDQDHQ-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.75
Rot. Bonds4

About 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide

2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 71710335) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide
PubChem CID71710335
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(C(=O)Nc1nn[nH]n1)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C16H14FN5O/c1-10(15(23)18-16-19-21-22-20-16)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19,20,21,22,23)
InChIKeyVSKWATYURDQDHQ-UHFFFAOYSA-N
XLogP2.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide 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-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide (CID 71710335) is 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide is CC(C(=O)Nc1nn[nH]n1)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is VSKWATYURDQDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-10(15(23)18-16-19-21-22-20-16)12-7-8-13(14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,19,20,21,22,23).
What are the key properties of 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide?
2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 311.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylphenyl)-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 71710335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).