N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide

C19H23BrN2O4 — CID 78885123

IUPACN-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide
SMILESCCOc1c(Br)cc(CNc2ccc(NC(C)=O)c(OC)c2)cc1OC
InChIInChI=1S/C19H23BrN2O4/c1-5-26-19-15(20)8-13(9-18(19)25-4)11-21-14-6-7-16(22-12(2)23)17(10-14)24-3/h6-10,21H,5,11H2,1-4H3,(H,22,23)
InChIKeyLBFFYFSYGYJNSP-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.44
Rot. Bonds8

About N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide

N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide (PubChem CID 78885123) has the molecular formula C19H23BrN2O4 and a molecular weight of 423.31 g/mol. Its IUPAC name is N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide
PubChem CID78885123
Molecular FormulaC19H23BrN2O4
Molecular Weight423.31 g/mol
Exact Mass422.08
IUPAC NameN-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide
SMILESCCOc1c(Br)cc(CNc2ccc(NC(C)=O)c(OC)c2)cc1OC
InChIInChI=1S/C19H23BrN2O4/c1-5-26-19-15(20)8-13(9-18(19)25-4)11-21-14-6-7-16(22-12(2)23)17(10-14)24-3/h6-10,21H,5,11H2,1-4H3,(H,22,23)
InChIKeyLBFFYFSYGYJNSP-UHFFFAOYSA-N
XLogP4.44
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060006
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 979677
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-4-methylbenzoic acid
CID 17059635
6-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-3H-2-benzofuran-1-one
CID 50888779
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260
2-[4-[(4-acetamidoanilino)methyl]-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539421
N-[4-[(3-hydroxyphenyl)methylamino]-2-methoxyphenyl]acetamide
CID 43672974
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 79043030
4-[[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 17295691
ethyl 4-[[3-bromo-4-[2-(tert-butylamino)-2-oxoethoxy]-5-methoxyphenyl]methylamino]benzoate
CID 1017341

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide (CID 78885123) is N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide is CCOc1c(Br)cc(CNc2ccc(NC(C)=O)c(OC)c2)cc1OC.
What is the InChIKey of N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide?
The InChIKey is LBFFYFSYGYJNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4/c1-5-26-19-15(20)8-13(9-18(19)25-4)11-21-14-6-7-16(22-12(2)23)17(10-14)24-3/h6-10,21H,5,11H2,1-4H3,(H,22,23).
What are the key properties of N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide?
N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide has a molecular weight of 423.31 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 78885123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).