methyl 2-(4-bromoanilino)acetate

C9H10BrNO2 — CID 974071

IUPACmethyl 2-(4-bromoanilino)acetate
SMILESCOC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO2/c1-13-9(12)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyCTTJLLJXWHBYHW-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.03
Rot. Bonds3

About methyl 2-(4-bromoanilino)acetate

methyl 2-(4-bromoanilino)acetate (PubChem CID 974071) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is methyl 2-(4-bromoanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromoanilino)acetate
PubChem CID974071
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Namemethyl 2-(4-bromoanilino)acetate
SMILESCOC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO2/c1-13-9(12)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyCTTJLLJXWHBYHW-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromoanilino)acetate?
The IUPAC name of methyl 2-(4-bromoanilino)acetate (CID 974071) is methyl 2-(4-bromoanilino)acetate.
What is the SMILES notation for methyl 2-(4-bromoanilino)acetate?
The canonical SMILES for methyl 2-(4-bromoanilino)acetate is COC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of methyl 2-(4-bromoanilino)acetate?
The InChIKey is CTTJLLJXWHBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-13-9(12)6-11-8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3.
What are the key properties of methyl 2-(4-bromoanilino)acetate?
methyl 2-(4-bromoanilino)acetate has a molecular weight of 244.09 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromoanilino)acetate is sourced from PubChem (CID 974071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).