N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H7F2N5O — CID 110499510

IUPACN-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cc(F)ccc1F
InChIInChI=1S/C9H7F2N5O/c10-5-1-2-6(11)7(3-5)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyIXIMTWIFKRMMMC-UHFFFAOYSA-N
MW239.19 g/mol
LogP0.66
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499510) has the molecular formula C9H7F2N5O and a molecular weight of 239.19 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499510
Molecular FormulaC9H7F2N5O
Molecular Weight239.19 g/mol
Exact Mass239.06
IUPAC NameN-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cc(F)ccc1F
InChIInChI=1S/C9H7F2N5O/c10-5-1-2-6(11)7(3-5)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyIXIMTWIFKRMMMC-UHFFFAOYSA-N
XLogP0.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(2,5-difluorophenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500527
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 110502620
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(2,3-dimethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499379
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
N-(2-chloro-3-pyridinyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499519
N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-2-phenylacetamide
CID 87006955

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499510) is N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is IXIMTWIFKRMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N5O/c10-5-1-2-6(11)7(3-5)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 239.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).