4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide

C20H16BrFN2O4 — CID 55713973

IUPAC4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc(OC)c1Br
InChIInChI=1S/C20H16BrFN2O4/c1-26-16-9-12(10-17(27-2)19(16)21)20(25)24-14-5-8-18(23-11-14)28-15-6-3-13(22)4-7-15/h3-11H,1-2H3,(H,24,25)
InChIKeyBVPWSXYREMSBTF-UHFFFAOYSA-N
MW447.26 g/mol
LogP5.05
Rot. Bonds6

About 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide

4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide (PubChem CID 55713973) has the molecular formula C20H16BrFN2O4 and a molecular weight of 447.26 g/mol. Its IUPAC name is 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
PubChem CID55713973
Molecular FormulaC20H16BrFN2O4
Molecular Weight447.26 g/mol
Exact Mass446.03
IUPAC Name4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc(OC)c1Br
InChIInChI=1S/C20H16BrFN2O4/c1-26-16-9-12(10-17(27-2)19(16)21)20(25)24-14-5-8-18(23-11-14)28-15-6-3-13(22)4-7-15/h3-11H,1-2H3,(H,24,25)
InChIKeyBVPWSXYREMSBTF-UHFFFAOYSA-N
XLogP5.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.26
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567515
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
4-bromo-3,5-dimethoxy-N-pyridin-3-ylbenzamide
CID 27165075
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902
4-bromo-N-(4-fluoro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 32610623
N-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55714129
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
N-(4-acetamidophenyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 46488305
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide (CID 55713973) is 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide?
The InChIKey is BVPWSXYREMSBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrFN2O4/c1-26-16-9-12(10-17(27-2)19(16)21)20(25)24-14-5-8-18(23-11-14)28-15-6-3-13(22)4-7-15/h3-11H,1-2H3,(H,24,25).
What are the key properties of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide?
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide has a molecular weight of 447.26 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55713973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).