[2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate

C19H17Br2NO4 — CID 3446480

IUPAC[2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate
SMILESCc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H17Br2NO4/c1-12-10-15(21)6-7-16(12)22-18(24)8-9-19(25)26-11-17(23)13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyVVLVZMOVDWGNFZ-UHFFFAOYSA-N
MW483.16 g/mol
LogP4.66
Rot. Bonds7

About [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate

[2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate (PubChem CID 3446480) has the molecular formula C19H17Br2NO4 and a molecular weight of 483.16 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate
PubChem CID3446480
Molecular FormulaC19H17Br2NO4
Molecular Weight483.16 g/mol
Exact Mass480.95
IUPAC Name[2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate
SMILESCc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H17Br2NO4/c1-12-10-15(21)6-7-16(12)22-18(24)8-9-19(25)26-11-17(23)13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,24)
InChIKeyVVLVZMOVDWGNFZ-UHFFFAOYSA-N
XLogP4.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.16
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate with MolForge

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-(3,4-dichloroanilino)-4-oxobutanoate
CID 17261812
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751571
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 30051564
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
[2-(4-bromophenyl)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate
CID 2839550
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 2343386
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654281
[2-(4-bromophenyl)-2-oxoethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate
CID 4226196
[2-(4-bromophenyl)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7790856
ethyl 4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]benzoate
CID 34568390
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate?
The IUPAC name of [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate (CID 3446480) is [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate?
The canonical SMILES for [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate is Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate?
The InChIKey is VVLVZMOVDWGNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2NO4/c1-12-10-15(21)6-7-16(12)22-18(24)8-9-19(25)26-11-17(23)13-2-4-14(20)5-3-13/h2-7,10H,8-9,11H2,1H3,(H,22,24).
What are the key properties of [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate?
[2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate has a molecular weight of 483.16 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxoethyl] 4-(4-bromo-2-methylanilino)-4-oxobutanoate is sourced from PubChem (CID 3446480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).