[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C18H16BrClN2O5 — CID 27914629

IUPAC[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H16BrClN2O5/c19-12-5-1-3-7-14(12)22-16(23)9-21-17(24)10-27-18(25)11-26-15-8-4-2-6-13(15)20/h1-8H,9-11H2,(H,21,24)(H,22,23)
InChIKeySFUUVLLYBIVPNK-UHFFFAOYSA-N
MW455.69 g/mol
LogP2.78
Rot. Bonds8

About [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 27914629) has the molecular formula C18H16BrClN2O5 and a molecular weight of 455.69 g/mol. Its IUPAC name is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID27914629
Molecular FormulaC18H16BrClN2O5
Molecular Weight455.69 g/mol
Exact Mass453.99
IUPAC Name[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1Cl)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C18H16BrClN2O5/c19-12-5-1-3-7-14(12)22-16(23)9-21-17(24)10-27-18(25)11-26-15-8-4-2-6-13(15)20/h1-8H,9-11H2,(H,21,24)(H,22,23)
InChIKeySFUUVLLYBIVPNK-UHFFFAOYSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.69
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate with MolForge

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Related Compounds

[2-(2-bromoanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555539
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
[2-(2-bromoanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842438
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
CID 2555736
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335548
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2378568
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 55397271
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9080472
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 27914629) is [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is O=C(COC(=O)COc1ccccc1Cl)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is SFUUVLLYBIVPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O5/c19-12-5-1-3-7-14(12)22-16(23)9-21-17(24)10-27-18(25)11-26-15-8-4-2-6-13(15)20/h1-8H,9-11H2,(H,21,24)(H,22,23).
What are the key properties of [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 455.69 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 27914629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).