N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C24H23F3N2O2 — CID 59673054

IUPACN-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(OC)c2)cc1
InChIInChI=1S/C24H23F3N2O2/c1-3-4-6-16-8-11-18(12-9-16)29-23(30)17-10-13-19(21(15-17)31-2)22-20(24(25,26)27)7-5-14-28-22/h5,7-15H,3-4,6H2,1-2H3,(H,29,30)
InChIKeyOXBLTFZFCLWXAZ-UHFFFAOYSA-N
MW428.45 g/mol
LogP6.37
Rot. Bonds7

About N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 59673054) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID59673054
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(OC)c2)cc1
InChIInChI=1S/C24H23F3N2O2/c1-3-4-6-16-8-11-18(12-9-16)29-23(30)17-10-13-19(21(15-17)31-2)22-20(24(25,26)27)7-5-14-28-22/h5,7-15H,3-4,6H2,1-2H3,(H,29,30)
InChIKeyOXBLTFZFCLWXAZ-UHFFFAOYSA-N
XLogP6.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673724
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673140
N-(4-butylphenyl)-6-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 10453002
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993
N-(4-butylphenyl)-2-fluoropyridine-4-carboxamide
CID 61294537
N-(4-butylphenyl)-4-methoxy-3-nitrobenzamide
CID 3346211
N-(4-butylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26268853
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
3-fluoro-N-(4-morpholin-4-ylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673274

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 59673054) is N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CCCCc1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)c(OC)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is OXBLTFZFCLWXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c1-3-4-6-16-8-11-18(12-9-16)29-23(30)17-10-13-19(21(15-17)31-2)22-20(24(25,26)27)7-5-14-28-22/h5,7-15H,3-4,6H2,1-2H3,(H,29,30).
What are the key properties of N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 428.45 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 59673054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).