N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H8FN5O — CID 2799351

IUPACN-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(F)cc1
InChIInChI=1S/C9H8FN5O/c10-6-1-3-7(4-2-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeyXYUFRCGDUIGZMA-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.52
Rot. Bonds3

About N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 2799351) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID2799351
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC NameN-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(F)cc1
InChIInChI=1S/C9H8FN5O/c10-6-1-3-7(4-2-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeyXYUFRCGDUIGZMA-UHFFFAOYSA-N
XLogP0.52
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2,4-difluorophenyl)-2-(2H-1,2,3,4-tetraazol-5-yl)acetamide
CID 2799349
N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799350
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
2-(1H-tetrazol-5-yl)acetanilide
CID 12590729
1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 14253809
2,2,3,3,4,4,4-Heptafluoro-N-[2-(1H-tetrazol-5-ylmethyl)phenyl]butanamide
CID 14253815
N-[3-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 14253817
N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]trifluoroacetamide
CID 14253820
N-[4-[(2H-Tetrazol-5-yl)methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide
CID 14253821
2,2,3,3,4,4,5,5,5-Nonafluoro-N-[4-(1H-tetrazol-5-ylmethyl)phenyl]pentanamide
CID 14253826
2,2,3,3,4,4,4-Heptafluoro-N-[4-(1H-tetrazol-5-ylethyl)phenyl]butanamide
CID 14253827

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 2799351) is N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is XYUFRCGDUIGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O/c10-6-1-3-7(4-2-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 221.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 2799351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).