ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate

C10H11BrClNO2 — CID 83229955

IUPACethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
SMILESCCOC(=O)C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H11BrClNO2/c1-2-15-10(14)9(13)6-3-4-8(12)7(11)5-6/h3-5,9H,2,13H2,1H3
InChIKeySWKDJNAMKWRQDS-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.67
Rot. Bonds3

About ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate

ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate (PubChem CID 83229955) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
PubChem CID83229955
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Nameethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate
SMILESCCOC(=O)C(N)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H11BrClNO2/c1-2-15-10(14)9(13)6-3-4-8(12)7(11)5-6/h3-5,9H,2,13H2,1H3
InChIKeySWKDJNAMKWRQDS-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
CID 105401879
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl 2-(3-bromo-4-chlorophenyl)-2-(2-methylpropylamino)acetate
CID 83230878
ethyl 2-(3-bromo-4-chlorophenyl)-2-piperazin-1-ylacetate
CID 83230459
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
methyl 3-amino-3-(3-bromo-4-chlorophenyl)propanoate
CID 115563535
1-(3-bromo-4-chlorophenyl)-1-ethoxybutan-2-one
CID 83241747
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate?
The IUPAC name of ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate (CID 83229955) is ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate is CCOC(=O)C(N)c1ccc(Cl)c(Br)c1.
What is the InChIKey of ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate?
The InChIKey is SWKDJNAMKWRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-2-15-10(14)9(13)6-3-4-8(12)7(11)5-6/h3-5,9H,2,13H2,1H3.
What are the key properties of ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate?
ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate has a molecular weight of 292.56 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(3-bromo-4-chlorophenyl)acetate is sourced from PubChem (CID 83229955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).