3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide

C10H9F2N5O — CID 52885518

IUPAC3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCc1cc(F)ccc1F)Nc1nn[nH]n1
InChIInChI=1S/C10H9F2N5O/c11-7-2-3-8(12)6(5-7)1-4-9(18)13-10-14-16-17-15-10/h2-3,5H,1,4H2,(H2,13,14,15,16,17,18)
InChIKeyZLJPFBYLPRMWTB-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.05
Rot. Bonds4

About 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide

3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 52885518) has the molecular formula C10H9F2N5O and a molecular weight of 253.21 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide
PubChem CID52885518
Molecular FormulaC10H9F2N5O
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide
SMILESO=C(CCc1cc(F)ccc1F)Nc1nn[nH]n1
InChIInChI=1S/C10H9F2N5O/c11-7-2-3-8(12)6(5-7)1-4-9(18)13-10-14-16-17-15-10/h2-3,5H,1,4H2,(H2,13,14,15,16,17,18)
InChIKeyZLJPFBYLPRMWTB-UHFFFAOYSA-N
XLogP1.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-difluorophenyl)-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 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide (CID 52885518) is 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide is O=C(CCc1cc(F)ccc1F)Nc1nn[nH]n1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is ZLJPFBYLPRMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O/c11-7-2-3-8(12)6(5-7)1-4-9(18)13-10-14-16-17-15-10/h2-3,5H,1,4H2,(H2,13,14,15,16,17,18).
What are the key properties of 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide?
3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 253.21 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 52885518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).