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

C10H11FN6O — CID 54862457

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C10H11FN6O/c1-12-5-10(18)14-9-4-7(2-3-8(9)11)17-6-13-15-16-17/h2-4,6,12H,5H2,1H3,(H,14,18)
InChIKeyDRZZALGBXVVPLS-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.04
Rot. Bonds4

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

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide (PubChem CID 54862457) has the molecular formula C10H11FN6O and a molecular weight of 250.24 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
PubChem CID54862457
Molecular FormulaC10H11FN6O
Molecular Weight250.24 g/mol
Exact Mass250.10
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C10H11FN6O/c1-12-5-10(18)14-9-4-7(2-3-8(9)11)17-6-13-15-16-17/h2-4,6,12H,5H2,1H3,(H,14,18)
InChIKeyDRZZALGBXVVPLS-UHFFFAOYSA-N
XLogP-0.04
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
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-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55811964
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide
CID 55813762
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide (CID 54862457) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide?
The InChIKey is DRZZALGBXVVPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN6O/c1-12-5-10(18)14-9-4-7(2-3-8(9)11)17-6-13-15-16-17/h2-4,6,12H,5H2,1H3,(H,14,18).
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide has a molecular weight of 250.24 g/mol, XLogP of -0.04, 4 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-(methylamino)acetamide is sourced from PubChem (CID 54862457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).