2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

C10H9F2N5O — CID 82816611

IUPAC2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCc2nn[nH]n2)c1F
InChIInChI=1S/C10H9F2N5O/c1-5-2-3-6(11)8(9(5)12)10(18)13-4-7-14-16-17-15-7/h2-3H,4H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyOARHTRIMDZOVBW-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.72
Rot. Bonds3

About 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 82816611) has the molecular formula C10H9F2N5O and a molecular weight of 253.21 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID82816611
Molecular FormulaC10H9F2N5O
Molecular Weight253.21 g/mol
Exact Mass253.08
IUPAC Name2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCc2nn[nH]n2)c1F
InChIInChI=1S/C10H9F2N5O/c1-5-2-3-6(11)8(9(5)12)10(18)13-4-7-14-16-17-15-7/h2-3H,4H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyOARHTRIMDZOVBW-UHFFFAOYSA-N
XLogP0.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112702660
2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 65100923
2,6-difluoro-N-(1H-imidazol-5-ylmethyl)-3-methylbenzamide
CID 82815562
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82814854
5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 63934294
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937
2,6-difluoro-N-(3-iodopropyl)-3-methylbenzamide
CID 114503969
2-[2-[(2,6-difluoro-3-methylbenzoyl)amino]ethoxy]acetic acid
CID 82815436
N-(3-chlorobutyl)-2,6-difluoro-3-methylbenzamide
CID 82818845
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 82816611) is 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is Cc1ccc(F)c(C(=O)NCc2nn[nH]n2)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is OARHTRIMDZOVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N5O/c1-5-2-3-6(11)8(9(5)12)10(18)13-4-7-14-16-17-15-7/h2-3H,4H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 253.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 82816611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).