2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid

C10H9BrClNO4 — CID 60662460

IUPAC2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H9BrClNO4/c11-6-1-2-8(7(12)3-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyMBSUQTNAKXWKPC-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid

2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid (PubChem CID 60662460) has the molecular formula C10H9BrClNO4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
PubChem CID60662460
Molecular FormulaC10H9BrClNO4
Molecular Weight322.54 g/mol
Exact Mass320.94
IUPAC Name2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
SMILESO=C(O)COCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H9BrClNO4/c11-6-1-2-8(7(12)3-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
InChIKeyMBSUQTNAKXWKPC-UHFFFAOYSA-N
XLogP2.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-chloro-4-methoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 67165862
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N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741026
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028460
N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 1310243
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
CID 166188233
2-[2-[(2-chloro-4-iodophenyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107607069
N-(4-bromo-2-chlorophenyl)-2-(3-fluorophenoxy)acetamide
CID 8863320
3-[[2-(4-bromo-2-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60834103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid (CID 60662460) is 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid is O=C(O)COCC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid?
The InChIKey is MBSUQTNAKXWKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO4/c11-6-1-2-8(7(12)3-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid?
2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid has a molecular weight of 322.54 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 60662460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).