3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide

C13H15FN6O2 — CID 154784049

IUPAC3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
SMILESCn1nnnc1NC(=O)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C13H15FN6O2/c1-19-13(16-17-18-19)15-12(21)9-6-10(14)8-11(7-9)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3,(H,15,16,18,21)
InChIKeyZQKQXUJKWUWUJV-UHFFFAOYSA-N
MW306.30 g/mol
LogP0.44
Rot. Bonds3

About 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide

3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide (PubChem CID 154784049) has the molecular formula C13H15FN6O2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
PubChem CID154784049
Molecular FormulaC13H15FN6O2
Molecular Weight306.30 g/mol
Exact Mass306.12
IUPAC Name3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
SMILESCn1nnnc1NC(=O)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C13H15FN6O2/c1-19-13(16-17-18-19)15-12(21)9-6-10(14)8-11(7-9)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3,(H,15,16,18,21)
InChIKeyZQKQXUJKWUWUJV-UHFFFAOYSA-N
XLogP0.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 91479903
N-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 86759591
3-fluoro-N-[4-methyl-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-morpholin-4-ylbenzamide
CID 22594080
3-bromo-5-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110613015
3-fluoro-5-morpholin-4-yl-N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzamide
CID 46228946
N-(5-amino-1H-1,2,4-triazol-3-yl)-4-chloro-2-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-3-methylthiophen-1-ium-1-carboxamide
CID 172801046
1-(3-fluoro-5-morpholin-4-ylphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 91649292
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
CID 16665377

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide (CID 154784049) is 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide is Cn1nnnc1NC(=O)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide?
The InChIKey is ZQKQXUJKWUWUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6O2/c1-19-13(16-17-18-19)15-12(21)9-6-10(14)8-11(7-9)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3,(H,15,16,18,21).
What are the key properties of 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide?
3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide has a molecular weight of 306.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 154784049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).