4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide

C11H11F2N5O2 — CID 122134178

IUPAC4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1F)Nc1nn[nH]n1
InChIInChI=1S/C11H11F2N5O2/c12-7-3-4-9(8(13)6-7)20-5-1-2-10(19)14-11-15-17-18-16-11/h3-4,6H,1-2,5H2,(H2,14,15,16,17,18,19)
InChIKeyWYHSGHXRFLVIRB-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.28
Rot. Bonds6

About 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide

4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide (PubChem CID 122134178) has the molecular formula C11H11F2N5O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide
PubChem CID122134178
Molecular FormulaC11H11F2N5O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC Name4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1F)Nc1nn[nH]n1
InChIInChI=1S/C11H11F2N5O2/c12-7-3-4-9(8(13)6-7)20-5-1-2-10(19)14-11-15-17-18-16-11/h3-4,6H,1-2,5H2,(H2,14,15,16,17,18,19)
InChIKeyWYHSGHXRFLVIRB-UHFFFAOYSA-N
XLogP1.28
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide (CID 122134178) is 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide is O=C(CCCOc1ccc(F)cc1F)Nc1nn[nH]n1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide?
The InChIKey is WYHSGHXRFLVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O2/c12-7-3-4-9(8(13)6-7)20-5-1-2-10(19)14-11-15-17-18-16-11/h3-4,6H,1-2,5H2,(H2,14,15,16,17,18,19).
What are the key properties of 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide?
4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide has a molecular weight of 283.24 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 122134178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).