N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide

C20H23BrN2O4 — CID 27648826

IUPACN-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC
InChIInChI=1S/C20H23BrN2O4/c1-4-26-18-10-14(17(21)12-19(18)27-5-2)11-20(25)23-16-8-6-15(7-9-16)22-13(3)24/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZLPDKDNJUXFWOQ-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.39
Rot. Bonds8

About N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide

N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (PubChem CID 27648826) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
PubChem CID27648826
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
SMILESCCOc1cc(Br)c(CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC
InChIInChI=1S/C20H23BrN2O4/c1-4-26-18-10-14(17(21)12-19(18)27-5-2)11-20(25)23-16-8-6-15(7-9-16)22-13(3)24/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZLPDKDNJUXFWOQ-UHFFFAOYSA-N
XLogP4.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-bromo-4,5-diethoxyphenyl)acetyl]amino]benzamide
CID 27667129
2-(2-bromo-4,5-diethoxyphenyl)-N-(3-methylphenyl)acetamide
CID 9039211
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 24673330
N-[4-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]phenyl]acetamide
CID 66542049
2-(2-bromo-4,5-diethoxyphenyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 31013760
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-[4-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]phenyl]acetamide
CID 66541994
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16563035
N-[4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66544844
N-(2-amino-2-methylpropyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119626386
2-(2-bromo-4,5-diethoxyphenyl)-N-quinolin-8-ylacetamide
CID 27676108
2-(2-bromo-4,5-diethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9192636

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide (CID 27648826) is N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is CCOc1cc(Br)c(CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OCC.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
The InChIKey is ZLPDKDNJUXFWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-26-18-10-14(17(21)12-19(18)27-5-2)11-20(25)23-16-8-6-15(7-9-16)22-13(3)24/h6-10,12H,4-5,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide?
N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide has a molecular weight of 435.32 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide is sourced from PubChem (CID 27648826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).