2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide

C20H21BrN2O4 — CID 30867221

IUPAC2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C20H21BrN2O4/c1-12-8-16(21)5-6-17(12)23-20(26)11-22-19(25)10-15-9-14(13(2)24)4-7-18(15)27-3/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyJAPTTWQGRPNANJ-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.27
Rot. Bonds7

About 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide

2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide (PubChem CID 30867221) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
PubChem CID30867221
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C20H21BrN2O4/c1-12-8-16(21)5-6-17(12)23-20(26)11-22-19(25)10-15-9-14(13(2)24)4-7-18(15)27-3/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyJAPTTWQGRPNANJ-UHFFFAOYSA-N
XLogP3.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
CID 17427408
2-(5-acetyl-2-methoxyphenyl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 30847759
2-[[2-(4-acetylphenoxy)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 2621364
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 27739745
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 27781319
N'-(4-bromo-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946965
2-(2-acetamido-5-acetylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 24534074
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534424
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501031
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
2-(5-acetyl-2-methoxyphenyl)-N-(5-chloro-2-methylphenyl)acetamide
CID 30843617
2-(5-acetyl-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 16557440

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide (CID 30867221) is 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide is COc1ccc(C(C)=O)cc1CC(=O)NCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is JAPTTWQGRPNANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-12-8-16(21)5-6-17(12)23-20(26)11-22-19(25)10-15-9-14(13(2)24)4-7-18(15)27-3/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide?
2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 433.30 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 30867221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).