4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide

C12H13FN4O2 — CID 30864207

IUPAC4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ncn[nH]1
InChIInChI=1S/C12H13FN4O2/c13-9-3-5-10(6-4-9)19-7-1-2-11(18)16-12-14-8-15-17-12/h3-6,8H,1-2,7H2,(H2,14,15,16,17,18)
InChIKeyKRAMFHCYHOSNFP-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.74
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide

4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 30864207) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID30864207
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)Nc1ncn[nH]1
InChIInChI=1S/C12H13FN4O2/c13-9-3-5-10(6-4-9)19-7-1-2-11(18)16-12-14-8-15-17-12/h3-6,8H,1-2,7H2,(H2,14,15,16,17,18)
InChIKeyKRAMFHCYHOSNFP-UHFFFAOYSA-N
XLogP1.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Phenoxy-N-(4H-[1,2,4]triazol-3-yl)-acetamide
CID 555301
4-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 1568913
4-(4-phenoxybutanoyl)-4H-1,2,4-triazol-3-amine
CID 2195041
4-phenoxy-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 1570043
2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-3-yl)acetamide
CID 703717
2-(2-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 1084013
4-(4-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 1565131
2-(4-methoxyphenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2886278
4-(4-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 1564870
4-(4-ethylphenoxy)-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 1564947
4-(4-tert-butylphenoxy)-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 1565020
4-(3-methylphenoxy)-N-(4H-1,2,4-triazol-3-yl)butanamide
CID 1565258

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 30864207) is 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide is O=C(CCCOc1ccc(F)cc1)Nc1ncn[nH]1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is KRAMFHCYHOSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-9-3-5-10(6-4-9)19-7-1-2-11(18)16-12-14-8-15-17-12/h3-6,8H,1-2,7H2,(H2,14,15,16,17,18).
What are the key properties of 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 264.26 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 30864207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).