3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide

C25H18ClFN2O2 — CID 46090601

IUPAC3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc(F)c(Cl)c4)cc3)n2)c1
InChIInChI=1S/C25H18ClFN2O2/c1-31-20-5-2-4-17(14-20)24-7-3-6-23(29-24)16-8-11-19(12-9-16)28-25(30)18-10-13-22(27)21(26)15-18/h2-15H,1H3,(H,28,30)
InChIKeyITGAADYMGAIXHV-UHFFFAOYSA-N
MW432.88 g/mol
LogP6.47
Rot. Bonds5

About 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide

3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide (PubChem CID 46090601) has the molecular formula C25H18ClFN2O2 and a molecular weight of 432.88 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
PubChem CID46090601
Molecular FormulaC25H18ClFN2O2
Molecular Weight432.88 g/mol
Exact Mass432.10
IUPAC Name3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc(F)c(Cl)c4)cc3)n2)c1
InChIInChI=1S/C25H18ClFN2O2/c1-31-20-5-2-4-17(14-20)24-7-3-6-23(29-24)16-8-11-19(12-9-16)28-25(30)18-10-13-22(27)21(26)15-18/h2-15H,1H3,(H,28,30)
InChIKeyITGAADYMGAIXHV-UHFFFAOYSA-N
XLogP6.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.88
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092970
1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 46090692
N-(3-chloro-4-fluorophenyl)-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386531
3-chloro-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]benzamide
CID 46090638
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
2,4-dichloro-5-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 46823403

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide (CID 46090601) is 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide is COc1cccc(-c2cccc(-c3ccc(NC(=O)c4ccc(F)c(Cl)c4)cc3)n2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
The InChIKey is ITGAADYMGAIXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O2/c1-31-20-5-2-4-17(14-20)24-7-3-6-23(29-24)16-8-11-19(12-9-16)28-25(30)18-10-13-22(27)21(26)15-18/h2-15H,1H3,(H,28,30).
What are the key properties of 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide?
3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide has a molecular weight of 432.88 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 46090601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).