4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide

C11H13FN6O — CID 54862455

IUPAC4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C11H13FN6O/c12-9-4-3-8(18-7-14-16-17-18)6-10(9)15-11(19)2-1-5-13/h3-4,6-7H,1-2,5,13H2,(H,15,19)
InChIKeyFNWCCULTLOJADF-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.48
Rot. Bonds5

About 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide

4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 54862455) has the molecular formula C11H13FN6O and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
PubChem CID54862455
Molecular FormulaC11H13FN6O
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C11H13FN6O/c12-9-4-3-8(18-7-14-16-17-18)6-10(9)15-11(19)2-1-5-13/h3-4,6-7H,1-2,5,13H2,(H,15,19)
InChIKeyFNWCCULTLOJADF-UHFFFAOYSA-N
XLogP0.48
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
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
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
2-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide (CID 54862455) is 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide is NCCCC(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is FNWCCULTLOJADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6O/c12-9-4-3-8(18-7-14-16-17-18)6-10(9)15-11(19)2-1-5-13/h3-4,6-7H,1-2,5,13H2,(H,15,19).
What are the key properties of 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide?
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 264.26 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 54862455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).