4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide

C23H19F2N5O2 — CID 129077020

IUPAC4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide
SMILESCc1ccccc1Cc1ccccc1N(C)C(=O)n1nnn(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C23H19F2N5O2/c1-15-8-3-4-9-16(15)14-17-10-5-6-13-20(17)28(2)22(31)30-23(32)29(26-27-30)21-18(24)11-7-12-19(21)25/h3-13H,14H2,1-2H3
InChIKeyXBTUYJHAQDRIMD-UHFFFAOYSA-N
MW435.43 g/mol
LogP3.71
Rot. Bonds4

About 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide

4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide (PubChem CID 129077020) has the molecular formula C23H19F2N5O2 and a molecular weight of 435.43 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide
PubChem CID129077020
Molecular FormulaC23H19F2N5O2
Molecular Weight435.43 g/mol
Exact Mass435.15
IUPAC Name4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide
SMILESCc1ccccc1Cc1ccccc1N(C)C(=O)n1nnn(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C23H19F2N5O2/c1-15-8-3-4-9-16(15)14-17-10-5-6-13-20(17)28(2)22(31)30-23(32)29(26-27-30)21-18(24)11-7-12-19(21)25/h3-13H,14H2,1-2H3
InChIKeyXBTUYJHAQDRIMD-UHFFFAOYSA-N
XLogP3.71
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide (CID 129077020) is 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide is Cc1ccccc1Cc1ccccc1N(C)C(=O)n1nnn(-c2c(F)cccc2F)c1=O.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide?
The InChIKey is XBTUYJHAQDRIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O2/c1-15-8-3-4-9-16(15)14-17-10-5-6-13-20(17)28(2)22(31)30-23(32)29(26-27-30)21-18(24)11-7-12-19(21)25/h3-13H,14H2,1-2H3.
What are the key properties of 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide?
4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide has a molecular weight of 435.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-methyl-N-[2-[(2-methylphenyl)methyl]phenyl]-5-oxotetrazole-1-carboxamide is sourced from PubChem (CID 129077020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).