N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide

C12H14FN5O2 — CID 79199600

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H14FN5O2/c13-10-5-4-9(18-8-14-16-17-18)7-11(10)15-12(20)3-1-2-6-19/h4-5,7-8,19H,1-3,6H2,(H,15,20)
InChIKeyIYROMFDZZQLMOY-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.90
Rot. Bonds6

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide (PubChem CID 79199600) has the molecular formula C12H14FN5O2 and a molecular weight of 279.27 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
PubChem CID79199600
Molecular FormulaC12H14FN5O2
Molecular Weight279.27 g/mol
Exact Mass279.11
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H14FN5O2/c13-10-5-4-9(18-8-14-16-17-18)7-11(10)15-12(20)3-1-2-6-19/h4-5,7-8,19H,1-3,6H2,(H,15,20)
InChIKeyIYROMFDZZQLMOY-UHFFFAOYSA-N
XLogP0.90
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide (CID 79199600) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide is O=C(CCCCO)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide?
The InChIKey is IYROMFDZZQLMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2/c13-10-5-4-9(18-8-14-16-17-18)7-11(10)15-12(20)3-1-2-6-19/h4-5,7-8,19H,1-3,6H2,(H,15,20).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide has a molecular weight of 279.27 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide is sourced from PubChem (CID 79199600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).