N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide

C22H21FN2O — CID 11152242

IUPACN-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3F)cc2)cc1
InChIInChI=1S/C22H21FN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
InChIKeyUGXJWTXKLFUPOE-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.44
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide

N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide (PubChem CID 11152242) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide
PubChem CID11152242
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC NameN-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3F)cc2)cc1
InChIInChI=1S/C22H21FN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26)
InChIKeyUGXJWTXKLFUPOE-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide (CID 11152242) is N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3F)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
The InChIKey is UGXJWTXKLFUPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-22(2,3)17-10-12-18(13-11-17)25-21(26)16-8-6-15(7-9-16)20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,25,26).
What are the key properties of N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide?
N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide has a molecular weight of 348.42 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)benzamide is sourced from PubChem (CID 11152242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).