N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide

C23H23FN2O — CID 126572802

IUPACN-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H23FN2O/c1-15-21(6-5-11-25-15)18-12-17(16-7-9-20(24)10-8-16)13-19(14-18)22(27)26-23(2,3)4/h5-14H,1-4H3,(H,26,27)
InChIKeyFSURMDRHFGQFGK-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.39
Rot. Bonds3

About N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide

N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide (PubChem CID 126572802) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
PubChem CID126572802
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H23FN2O/c1-15-21(6-5-11-25-15)18-12-17(16-7-9-20(24)10-8-16)13-19(14-18)22(27)26-23(2,3)4/h5-14H,1-4H3,(H,26,27)
InChIKeyFSURMDRHFGQFGK-UHFFFAOYSA-N
XLogP5.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide (CID 126572802) is N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is FSURMDRHFGQFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-15-21(6-5-11-25-15)18-12-17(16-7-9-20(24)10-8-16)13-19(14-18)22(27)26-23(2,3)4/h5-14H,1-4H3,(H,26,27).
What are the key properties of N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide?
N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-fluorophenyl)-5-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 126572802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).