2-fluoro-N-(2-methyltetrazol-5-yl)benzamide

C9H8FN5O — CID 685434

IUPAC2-fluoro-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C9H8FN5O/c1-15-13-9(12-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13,16)
InChIKeyNAJLPWOVXKHYRL-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.60
Rot. Bonds2

About 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide

2-fluoro-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 685434) has the molecular formula C9H8FN5O and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID685434
Molecular FormulaC9H8FN5O
Molecular Weight221.20 g/mol
Exact Mass221.07
IUPAC Name2-fluoro-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccccc2F)n1
InChIInChI=1S/C9H8FN5O/c1-15-13-9(12-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13,16)
InChIKeyNAJLPWOVXKHYRL-UHFFFAOYSA-N
XLogP0.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953455
N-(1H-Tetrazol-5-yl)benzamide
CID 569479
N-(1,3,4-Thiadiazol-2-yl)benzamide
CID 569548
4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
CID 645076
4-methyl-N-(2-methyl-5-tetrazolyl)benzamide
CID 653643
2-chloro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893153
4-bromo-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 894049
4-fluoro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 900462
N-(2-methyl-2H-tetrazol-5-yl)benzamide
CID 953429
4-tert-butyl-N-(2-ethyltetrazol-5-yl)benzamide
CID 653392
2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 838742
4-phenyl-N-(2-propyl-5-tetrazolyl)benzamide
CID 893341

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide (CID 685434) is 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2ccccc2F)n1.
What is the InChIKey of 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is NAJLPWOVXKHYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5O/c1-15-13-9(12-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13,16).
What are the key properties of 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide?
2-fluoro-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 221.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 685434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).