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

C18H18FN5O3 — CID 58502374

IUPACN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1ccccc1C
InChIInChI=1S/C18H18FN5O3/c1-4-22(14-10-6-5-8-12(14)2)17(25)24-18(26)23(20-21-24)16-13(19)9-7-11-15(16)27-3/h5-11H,4H2,1-3H3
InChIKeyRTNLMMQQZJZMLC-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.38
Rot. Bonds4

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

N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 58502374) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
PubChem CID58502374
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1ccccc1C
InChIInChI=1S/C18H18FN5O3/c1-4-22(14-10-6-5-8-12(14)2)17(25)24-18(26)23(20-21-24)16-13(19)9-7-11-15(16)27-3/h5-11H,4H2,1-3H3
InChIKeyRTNLMMQQZJZMLC-UHFFFAOYSA-N
XLogP2.38
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.38
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 N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide (CID 58502374) is N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1ccccc1C.
What is the InChIKey of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is RTNLMMQQZJZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-4-22(14-10-6-5-8-12(14)2)17(25)24-18(26)23(20-21-24)16-13(19)9-7-11-15(16)27-3/h5-11H,4H2,1-3H3.
What are the key properties of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide?
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 371.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58502374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).