2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid

C10H10BrNO4 — CID 1088401

IUPAC2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO4/c11-7-1-3-8(4-2-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyLLUDWZRRIFWRCX-UHFFFAOYSA-N
MW288.10 g/mol
LogP1.49
Rot. Bonds5

About 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid

2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid (PubChem CID 1088401) has the molecular formula C10H10BrNO4 and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid
PubChem CID1088401
Molecular FormulaC10H10BrNO4
Molecular Weight288.10 g/mol
Exact Mass286.98
IUPAC Name2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H10BrNO4/c11-7-1-3-8(4-2-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyLLUDWZRRIFWRCX-UHFFFAOYSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-methoxyacetamide
CID 885967
N-(4-bromophenyl)-2-methoxyacetamide
CID 532084
Acetic acid (4-bromo-3-methyl-phenylcarbamoyl)-methyl ester
CID 2109630
[2-(4-Bromoanilino)-2-oxoethyl] 2-acetamidopropanoate
CID 2894495
[2-(2,4-Dibromoanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2359506
4-O-[2-(3-bromoanilino)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 5896753
[2-(3-bromoanilino)-2-oxoethyl] (E)-but-2-enoate
CID 6022464
N-(2-bromophenyl)-2-methoxyacetamide
CID 885708
N-(3-bromophenyl)-2-ethoxyacetamide
CID 2162636
[2-(2-bromoanilino)-2-oxoethyl] (E)-but-2-enoate
CID 2355441
F3099-7634
CID 1581492
N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide
CID 885770

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid (CID 1088401) is 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid?
The InChIKey is LLUDWZRRIFWRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO4/c11-7-1-3-8(4-2-7)12-9(13)5-16-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid?
2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid has a molecular weight of 288.10 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 1088401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).