4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide

C17H15F2N5O3 — CID 70668188

IUPAC4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1cc(C)ccc1O
InChIInChI=1S/C17H15F2N5O3/c1-3-22(13-9-10(2)7-8-14(13)25)16(26)24-17(27)23(20-21-24)15-11(18)5-4-6-12(15)19/h4-9,25H,3H2,1-2H3
InChIKeyAFAGKHFSJLSABQ-UHFFFAOYSA-N
MW375.34 g/mol
LogP2.22
Rot. Bonds3

About 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide

4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide (PubChem CID 70668188) has the molecular formula C17H15F2N5O3 and a molecular weight of 375.34 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide
PubChem CID70668188
Molecular FormulaC17H15F2N5O3
Molecular Weight375.34 g/mol
Exact Mass375.11
IUPAC Name4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide
SMILESCCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1cc(C)ccc1O
InChIInChI=1S/C17H15F2N5O3/c1-3-22(13-9-10(2)7-8-14(13)25)16(26)24-17(27)23(20-21-24)15-11(18)5-4-6-12(15)19/h4-9,25H,3H2,1-2H3
InChIKeyAFAGKHFSJLSABQ-UHFFFAOYSA-N
XLogP2.22
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamido-2-fluorophenyl)-4-(2,6-difluorophenyl)-N-ethyl-5-oxotetrazole-1-carboxamide
CID 58502419
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-[5-methyl-2-(2-phenylethoxy)phenyl]-5-oxotetrazole-1-carboxamide
CID 58502136
N-ethyl-4-(2-fluoro-6-methoxyphenyl)-N-(2-methylphenyl)-5-oxotetrazole-1-carboxamide
CID 58502374
N-ethyl-4-(2-fluoro-6-phenylphenyl)-5-oxo-N-phenyltetrazole-1-carboxamide
CID 70668202
N-(2,5-dimethylphenyl)-N-ethyl-4-(2-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502440
N-(2-butoxy-5-methylphenyl)-4-(2-fluoro-6-methoxyphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide
CID 90076443
4-(2,6-dichlorophenyl)-N-ethyl-5-oxo-N-phenyltetrazole-1-carboxamide
CID 58502246
N-ethyl-N-(2-fluorophenyl)-5-oxo-4-(2-phenoxyphenyl)tetrazole-1-carboxamide
CID 58502221
N-cyclohexyl-4-(2,6-difluorophenyl)-N-(4-methyl-2-phenoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58501912
3-[[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-ethylamino]benzoic acid
CID 58502487
N-[4-[bis(methylsulfonyl)amino]-2-fluorophenyl]-4-(2,6-difluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 129076866
4-(2,6-dichlorophenyl)-N-ethyl-N-(4-methoxyphenyl)-5-oxotetrazole-1-carboxamide
CID 58502301

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide (CID 70668188) is 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide is CCN(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1cc(C)ccc1O.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide?
The InChIKey is AFAGKHFSJLSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O3/c1-3-22(13-9-10(2)7-8-14(13)25)16(26)24-17(27)23(20-21-24)15-11(18)5-4-6-12(15)19/h4-9,25H,3H2,1-2H3.
What are the key properties of 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide?
4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide has a molecular weight of 375.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-ethyl-N-(2-hydroxy-5-methylphenyl)-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 70668188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).