2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide

C9H6F3N5O — CID 65100923

IUPAC2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3N5O/c10-4-1-5(11)8(6(12)2-4)9(18)13-3-7-14-16-17-15-7/h1-2H,3H2,(H,13,18)(H,14,15,16,17)
InChIKeyTUUGKDGJTOSUEI-UHFFFAOYSA-N
MW257.18 g/mol
LogP0.55
Rot. Bonds3

About 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide

2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 65100923) has the molecular formula C9H6F3N5O and a molecular weight of 257.18 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID65100923
Molecular FormulaC9H6F3N5O
Molecular Weight257.18 g/mol
Exact Mass257.05
IUPAC Name2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESO=C(NCc1nn[nH]n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3N5O/c10-4-1-5(11)8(6(12)2-4)9(18)13-3-7-14-16-17-15-7/h1-2H,3H2,(H,13,18)(H,14,15,16,17)
InChIKeyTUUGKDGJTOSUEI-UHFFFAOYSA-N
XLogP0.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611
4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112702660
3-fluoro-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 78954200
2,5-difluoro-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 107121999
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 170555357
6-bromo-N-(2H-tetrazol-5-ylmethyl)-2H-benzotriazole-4-carboxamide
CID 166180087
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 65100923) is 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide is O=C(NCc1nn[nH]n1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is TUUGKDGJTOSUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5O/c10-4-1-5(11)8(6(12)2-4)9(18)13-3-7-14-16-17-15-7/h1-2H,3H2,(H,13,18)(H,14,15,16,17).
What are the key properties of 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide?
2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 257.18 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 65100923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).