N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H7F2N5O — CID 110499514

IUPACN-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N5O/c10-6-2-1-5(3-7(6)11)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyYQBWGXNMJWNDDX-UHFFFAOYSA-N
MW239.19 g/mol
LogP0.66
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499514) has the molecular formula C9H7F2N5O and a molecular weight of 239.19 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499514
Molecular FormulaC9H7F2N5O
Molecular Weight239.19 g/mol
Exact Mass239.06
IUPAC NameN-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C9H7F2N5O/c10-6-2-1-5(3-7(6)11)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyYQBWGXNMJWNDDX-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-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595
N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499477
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
N-(3,4-difluorophenyl)propanamide
CID 4285365
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
N-(3,4-difluorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 43024786

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499514) is N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is YQBWGXNMJWNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N5O/c10-6-2-1-5(3-7(6)11)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-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3,4-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-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).