4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

C10H10FN5O — CID 112702660

IUPAC4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C10H10FN5O/c1-6-4-7(11)2-3-8(6)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeySHIQTHVIKMLBAN-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.58
Rot. Bonds3

About 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 112702660) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID112702660
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCc1nn[nH]n1
InChIInChI=1S/C10H10FN5O/c1-6-4-7(11)2-3-8(6)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeySHIQTHVIKMLBAN-UHFFFAOYSA-N
XLogP0.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
2,4,6-trifluoro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 65100923
5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 63934294
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
4-fluoro-2-methyl-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579063
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 170555357
N-(4-amino-4-oxobutyl)-4-fluoro-2-methylbenzamide
CID 112702489
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 112702660) is 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is Cc1cc(F)ccc1C(=O)NCc1nn[nH]n1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is SHIQTHVIKMLBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-6-4-7(11)2-3-8(6)10(17)12-5-9-13-15-16-14-9/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 235.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 112702660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).