N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide

C12H13FN6O — CID 79285392

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H13FN6O/c1-2-5-14-7-12(20)16-11-6-9(3-4-10(11)13)19-8-15-17-18-19/h2-4,6,8,14H,1,5,7H2,(H,16,20)
InChIKeyONBOLGAVGBMASY-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.52
Rot. Bonds6

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285392) has the molecular formula C12H13FN6O and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285392
Molecular FormulaC12H13FN6O
Molecular Weight276.28 g/mol
Exact Mass276.11
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H13FN6O/c1-2-5-14-7-12(20)16-11-6-9(3-4-10(11)13)19-8-15-17-18-19/h2-4,6,8,14H,1,5,7H2,(H,16,20)
InChIKeyONBOLGAVGBMASY-UHFFFAOYSA-N
XLogP0.52
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
CID 56514274
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55813762

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide (CID 79285392) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is ONBOLGAVGBMASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN6O/c1-2-5-14-7-12(20)16-11-6-9(3-4-10(11)13)19-8-15-17-18-19/h2-4,6,8,14H,1,5,7H2,(H,16,20).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 276.28 g/mol, XLogP of 0.52, 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]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).