2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide

C11H14BrClN2O2 — CID 83229954

IUPAC2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNC(C(N)=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2/c1-17-5-4-15-10(11(14)16)7-2-3-9(13)8(12)6-7/h2-3,6,10,15H,4-5H2,1H3,(H2,14,16)
InChIKeyVFXIZOSNVVUKIB-UHFFFAOYSA-N
MW321.60 g/mol
LogP1.86
Rot. Bonds6

About 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide

2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 83229954) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID83229954
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNC(C(N)=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H14BrClN2O2/c1-17-5-4-15-10(11(14)16)7-2-3-9(13)8(12)6-7/h2-3,6,10,15H,4-5H2,1H3,(H2,14,16)
InChIKeyVFXIZOSNVVUKIB-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 51.86
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)acetic acid
CID 83229877
2-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 65026801
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
2-(2-bromo-5-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 66155462
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
2-(2-methoxyethylamino)-2-(4-methoxy-3-methylphenyl)acetamide
CID 62542227
2-(2-methoxyethylamino)-2-(3-methoxyphenyl)acetamide
CID 55084492
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethylamino)acetamide
CID 62540820
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyethylamino)acetamide
CID 62541518
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)acetamide?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide (CID 83229954) is 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide is COCCNC(C(N)=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is VFXIZOSNVVUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-17-5-4-15-10(11(14)16)7-2-3-9(13)8(12)6-7/h2-3,6,10,15H,4-5H2,1H3,(H2,14,16).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide?
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 321.60 g/mol, XLogP of 1.86, 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)acetamide is sourced from PubChem (CID 83229954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).