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

C19H20FN5O4 — CID 58501979

IUPACN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C19H20FN5O4/c1-5-23(13-10-9-12(2)16(11-13)29-4)18(26)25-19(27)24(21-22-25)17-14(20)7-6-8-15(17)28-3/h6-11H,5H2,1-4H3
InChIKeyUNPKXOQJPCYGIL-UHFFFAOYSA-N
MW401.40 g/mol
LogP2.39
Rot. Bonds5

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

N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 58501979) has the molecular formula C19H20FN5O4 and a molecular weight of 401.40 g/mol. Its IUPAC name is N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide
PubChem CID58501979
Molecular FormulaC19H20FN5O4
Molecular Weight401.40 g/mol
Exact Mass401.15
IUPAC NameN-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C19H20FN5O4/c1-5-23(13-10-9-12(2)16(11-13)29-4)18(26)25-19(27)24(21-22-25)17-14(20)7-6-8-15(17)28-3/h6-11H,5H2,1-4H3
InChIKeyUNPKXOQJPCYGIL-UHFFFAOYSA-N
XLogP2.39
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide (CID 58501979) is N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(F)cccc2OC)c1=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is UNPKXOQJPCYGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4/c1-5-23(13-10-9-12(2)16(11-13)29-4)18(26)25-19(27)24(21-22-25)17-14(20)7-6-8-15(17)28-3/h6-11H,5H2,1-4H3.
What are the key properties of N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide?
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 401.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(3-methoxy-4-methylphenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 58501979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).