2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide

C17H16Br2N2O3 — CID 27781318

IUPAC2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H16Br2N2O3/c1-10-7-11(18)3-6-15(10)21-16(22)9-20-17(23)13-8-12(24-2)4-5-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUUBOYJAOUIXQPJ-UHFFFAOYSA-N
MW456.13 g/mol
LogP3.90
Rot. Bonds5

About 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide

2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide (PubChem CID 27781318) has the molecular formula C17H16Br2N2O3 and a molecular weight of 456.13 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
PubChem CID27781318
Molecular FormulaC17H16Br2N2O3
Molecular Weight456.13 g/mol
Exact Mass453.95
IUPAC Name2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H16Br2N2O3/c1-10-7-11(18)3-6-15(10)21-16(22)9-20-17(23)13-8-12(24-2)4-5-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUUBOYJAOUIXQPJ-UHFFFAOYSA-N
XLogP3.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.13
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)propylcarbamoylamino]acetamide
CID 55912206
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 16502357
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 17439988
2-benzamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]benzamide
CID 26549746
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 103274988
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentene-1-carboxamide
CID 71918952

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide (CID 27781318) is 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide?
The InChIKey is UUBOYJAOUIXQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2O3/c1-10-7-11(18)3-6-15(10)21-16(22)9-20-17(23)13-8-12(24-2)4-5-14(13)19/h3-8H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide?
2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide has a molecular weight of 456.13 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methoxybenzamide is sourced from PubChem (CID 27781318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).