[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate

C18H24BrClN2O3 — CID 75449311

IUPAC[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate
SMILESCN(C1CCCC1)C(C)(C)C(=O)OCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H24BrClN2O3/c1-18(2,22(3)13-6-4-5-7-13)17(24)25-11-16(23)21-15-9-8-12(19)10-14(15)20/h8-10,13H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyAYFXSGFQEUHJHD-UHFFFAOYSA-N
MW431.76 g/mol
LogP4.24
Rot. Bonds6

About [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate

[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate (PubChem CID 75449311) has the molecular formula C18H24BrClN2O3 and a molecular weight of 431.76 g/mol. Its IUPAC name is [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Name[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate
PubChem CID75449311
Molecular FormulaC18H24BrClN2O3
Molecular Weight431.76 g/mol
Exact Mass430.07
IUPAC Name[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate
SMILESCN(C1CCCC1)C(C)(C)C(=O)OCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C18H24BrClN2O3/c1-18(2,22(3)13-6-4-5-7-13)17(24)25-11-16(23)21-15-9-8-12(19)10-14(15)20/h8-10,13H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyAYFXSGFQEUHJHD-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 4-(cyclohexylamino)-4-oxobutanoate
CID 17258306
3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
CID 64684964
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
CID 60662460
N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028460
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751571
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
CID 78780727
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate (CID 75449311) is [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate is CN(C1CCCC1)C(C)(C)C(=O)OCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate?
The InChIKey is AYFXSGFQEUHJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrClN2O3/c1-18(2,22(3)13-6-4-5-7-13)17(24)25-11-16(23)21-15-9-8-12(19)10-14(15)20/h8-10,13H,4-7,11H2,1-3H3,(H,21,23).
What are the key properties of [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate?
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate has a molecular weight of 431.76 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-[cyclopentyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 75449311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).