N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H8FN5O — CID 110499400

IUPACN-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cccc(F)c1
InChIInChI=1S/C9H8FN5O/c10-6-2-1-3-7(4-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeySSNNYUSGHXOCBB-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.52
Rot. Bonds3

About N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499400) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499400
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC NameN-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cccc(F)c1
InChIInChI=1S/C9H8FN5O/c10-6-2-1-3-7(4-6)11-9(16)5-8-12-14-15-13-8/h1-4H,5H2,(H,11,16)(H,12,13,14,15)
InChIKeySSNNYUSGHXOCBB-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

N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499506
N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499510
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(3-fluorophenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110862703
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595
N-(2-hydroxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499452
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 154844252
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379
N-(3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771361

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499400) is N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is SSNNYUSGHXOCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O/c10-6-2-1-3-7(4-6)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-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-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-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).