2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid

C11H13BrClNO3 — CID 83229877

IUPAC2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO3/c1-17-5-4-14-10(11(15)16)7-2-3-9(13)8(12)6-7/h2-3,6,10,14H,4-5H2,1H3,(H,15,16)
InChIKeyRMHMUUIDRYYRIU-UHFFFAOYSA-N
MW322.59 g/mol
LogP2.46
Rot. Bonds6

About 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid

2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid (PubChem CID 83229877) has the molecular formula C11H13BrClNO3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
PubChem CID83229877
Molecular FormulaC11H13BrClNO3
Molecular Weight322.59 g/mol
Exact Mass320.98
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid
SMILESCOCCNC(C(=O)O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H13BrClNO3/c1-17-5-4-14-10(11(15)16)7-2-3-9(13)8(12)6-7/h2-3,6,10,14H,4-5H2,1H3,(H,15,16)
InChIKeyRMHMUUIDRYYRIU-UHFFFAOYSA-N
XLogP2.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83229954
2-(3-bromo-4-chlorophenyl)-2-(prop-2-enylamino)acetic acid
CID 83230793
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
2-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)acetic acid
CID 62541216
(2R)-2-(2-bromophenyl)-2-(2-methoxyethylamino)acetic acid
CID 94479863
[1-(3-bromo-4-chlorophenyl)-4-methoxy-2-methylbutyl]hydrazine
CID 105260868
2-(4-bromo-5-methylthiophen-2-yl)-2-(2-methoxyethylamino)acetic acid
CID 102841052
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
2-(2-methoxyethylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 62541567
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid (CID 83229877) is 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid is COCCNC(C(=O)O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid?
The InChIKey is RMHMUUIDRYYRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO3/c1-17-5-4-14-10(11(15)16)7-2-3-9(13)8(12)6-7/h2-3,6,10,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid?
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid has a molecular weight of 322.59 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetic acid is sourced from PubChem (CID 83229877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).