4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide

C24H23BrFN3O5 — CID 123937545

IUPAC4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O
InChIInChI=1S/C24H23BrFN3O5/c1-32-20-8-5-16(29-23(20)14-3-6-18(26)17(25)11-14)9-10-28-24(31)15-4-7-19(21(12-15)33-2)34-13-22(27)30/h3-8,11-12H,9-10,13H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyUJSVUWQIJUTZKP-UHFFFAOYSA-N
MW532.37 g/mol
LogP3.50
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide (PubChem CID 123937545) has the molecular formula C24H23BrFN3O5 and a molecular weight of 532.37 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide
PubChem CID123937545
Molecular FormulaC24H23BrFN3O5
Molecular Weight532.37 g/mol
Exact Mass531.08
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O
InChIInChI=1S/C24H23BrFN3O5/c1-32-20-8-5-16(29-23(20)14-3-6-18(26)17(25)11-14)9-10-28-24(31)15-4-7-19(21(12-15)33-2)34-13-22(27)30/h3-8,11-12H,9-10,13H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyUJSVUWQIJUTZKP-UHFFFAOYSA-N
XLogP3.50
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide with MolForge

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methoxybenzamide
CID 119159659
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 144580077
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 24517297
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9084762
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[2-[4-(2-aminopropan-2-yl)-6-(3-chloro-4-fluorophenyl)-2-pyridinyl]ethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide
CID 162596443
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 110641133
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 8529507

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide (CID 123937545) is 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide is COc1cc(C(=O)NCCc2ccc(OC)c(-c3ccc(F)c(Br)c3)n2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide?
The InChIKey is UJSVUWQIJUTZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrFN3O5/c1-32-20-8-5-16(29-23(20)14-3-6-18(26)17(25)11-14)9-10-28-24(31)15-4-7-19(21(12-15)33-2)34-13-22(27)30/h3-8,11-12H,9-10,13H2,1-2H3,(H2,27,30)(H,28,31).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide has a molecular weight of 532.37 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 123937545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).