4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide

C17H16FN5O3 — CID 58502340

IUPAC4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCOc1cccc(F)c1-n1nnn(C(=O)N(C)c2cccc(C)c2)c1=O
InChIInChI=1S/C17H16FN5O3/c1-11-6-4-7-12(10-11)21(2)16(24)23-17(25)22(19-20-23)15-13(18)8-5-9-14(15)26-3/h4-10H,1-3H3
InChIKeyHNYLEYHFCWYJQU-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.99
Rot. Bonds3

About 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide

4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 58502340) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide
PubChem CID58502340
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCOc1cccc(F)c1-n1nnn(C(=O)N(C)c2cccc(C)c2)c1=O
InChIInChI=1S/C17H16FN5O3/c1-11-6-4-7-12(10-11)21(2)16(24)23-17(25)22(19-20-23)15-13(18)8-5-9-14(15)26-3/h4-10H,1-3H3
InChIKeyHNYLEYHFCWYJQU-UHFFFAOYSA-N
XLogP1.99
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide (CID 58502340) is 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide is COc1cccc(F)c1-n1nnn(C(=O)N(C)c2cccc(C)c2)c1=O.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is HNYLEYHFCWYJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-11-6-4-7-12(10-11)21(2)16(24)23-17(25)22(19-20-23)15-13(18)8-5-9-14(15)26-3/h4-10H,1-3H3.
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide?
4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 357.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-N-methyl-N-(3-methylphenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).