N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide

C16H16BrFN2O3 — CID 110495803

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc(F)cc2Br)cc1OC
InChIInChI=1S/C16H16BrFN2O3/c1-22-13-5-3-10(7-14(13)23-2)4-6-15(21)20-16-12(17)8-11(18)9-19-16/h3,5,7-9H,4,6H2,1-2H3,(H,19,20,21)
InChIKeyONKIWEZHGVRSEN-UHFFFAOYSA-N
MW383.22 g/mol
LogP3.57
Rot. Bonds6

About N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide

N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 110495803) has the molecular formula C16H16BrFN2O3 and a molecular weight of 383.22 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID110495803
Molecular FormulaC16H16BrFN2O3
Molecular Weight383.22 g/mol
Exact Mass382.03
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncc(F)cc2Br)cc1OC
InChIInChI=1S/C16H16BrFN2O3/c1-22-13-5-3-10(7-14(13)23-2)4-6-15(21)20-16-12(17)8-11(18)9-19-16/h3,5,7-9H,4,6H2,1-2H3,(H,19,20,21)
InChIKeyONKIWEZHGVRSEN-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289
3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide
CID 75432855
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588
N-(3-bromophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 9341227
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
CID 43054897
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
4-[3-(3,4-dimethoxyphenyl)propanoylamino]-N-hydroxybenzamide
CID 44516409
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide (CID 110495803) is N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ncc(F)cc2Br)cc1OC.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is ONKIWEZHGVRSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3/c1-22-13-5-3-10(7-14(13)23-2)4-6-15(21)20-16-12(17)8-11(18)9-19-16/h3,5,7-9H,4,6H2,1-2H3,(H,19,20,21).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 383.22 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 110495803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).