2-(4-bromo-2-chloro-N-formylanilino)acetic acid

C9H7BrClNO3 — CID 5085595

IUPAC2-(4-bromo-2-chloro-N-formylanilino)acetic acid
SMILESO=CN(CC(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H7BrClNO3/c10-6-1-2-8(7(11)3-6)12(5-13)4-9(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyGUMKUBKCXHWKLL-UHFFFAOYSA-N
MW292.52 g/mol
LogP2.15
Rot. Bonds4

About 2-(4-bromo-2-chloro-N-formylanilino)acetic acid

2-(4-bromo-2-chloro-N-formylanilino)acetic acid (PubChem CID 5085595) has the molecular formula C9H7BrClNO3 and a molecular weight of 292.52 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-N-formylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-N-formylanilino)acetic acid
PubChem CID5085595
Molecular FormulaC9H7BrClNO3
Molecular Weight292.52 g/mol
Exact Mass290.93
IUPAC Name2-(4-bromo-2-chloro-N-formylanilino)acetic acid
SMILESO=CN(CC(=O)O)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H7BrClNO3/c10-6-1-2-8(7(11)3-6)12(5-13)4-9(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyGUMKUBKCXHWKLL-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-N-formylanilino)acetic acid?
The IUPAC name of 2-(4-bromo-2-chloro-N-formylanilino)acetic acid (CID 5085595) is 2-(4-bromo-2-chloro-N-formylanilino)acetic acid.
What is the SMILES notation for 2-(4-bromo-2-chloro-N-formylanilino)acetic acid?
The canonical SMILES for 2-(4-bromo-2-chloro-N-formylanilino)acetic acid is O=CN(CC(=O)O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chloro-N-formylanilino)acetic acid?
The InChIKey is GUMKUBKCXHWKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClNO3/c10-6-1-2-8(7(11)3-6)12(5-13)4-9(14)15/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-(4-bromo-2-chloro-N-formylanilino)acetic acid?
2-(4-bromo-2-chloro-N-formylanilino)acetic acid has a molecular weight of 292.52 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-N-formylanilino)acetic acid is sourced from PubChem (CID 5085595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).