2-(2-bromoanilino)-5-chlorobenzoic acid

C13H9BrClNO2 — CID 55225473

IUPAC2-(2-bromoanilino)-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccccc1Br
InChIInChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)16-11-6-5-8(15)7-9(11)13(17)18/h1-7,16H,(H,17,18)
InChIKeyOHKCGAPYACJGAQ-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.54
Rot. Bonds3

About 2-(2-bromoanilino)-5-chlorobenzoic acid

2-(2-bromoanilino)-5-chlorobenzoic acid (PubChem CID 55225473) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-(2-bromoanilino)-5-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-bromoanilino)-5-chlorobenzoic acid
PubChem CID55225473
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name2-(2-bromoanilino)-5-chlorobenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Nc1ccccc1Br
InChIInChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)16-11-6-5-8(15)7-9(11)13(17)18/h1-7,16H,(H,17,18)
InChIKeyOHKCGAPYACJGAQ-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-chloroanilino)benzoic acid
CID 81271359
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
5-chloro-2-(2-cyanoanilino)benzoic acid
CID 63538465
2-(4-bromo-2-cyanoanilino)-5-chlorobenzoic acid
CID 82704123
2-(2-amino-5-chloroanilino)benzoic acid
CID 59783721
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320
2-[(2-aminophenyl)carbamoylamino]-5-chlorobenzoic acid
CID 61404300
5-chloro-2-(2-cyano-3-methylanilino)benzoic acid
CID 107799308
2-[(6-bromo-3-pyridinyl)amino]-5-chlorobenzoic acid
CID 86657259
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
3-bromo-5-chloro-2-(2-chloroanilino)benzoic acid
CID 165363155
5-chloro-2-(4-methoxyanilino)benzoic acid
CID 13371480

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-5-chlorobenzoic acid?
The IUPAC name of 2-(2-bromoanilino)-5-chlorobenzoic acid (CID 55225473) is 2-(2-bromoanilino)-5-chlorobenzoic acid.
What is the SMILES notation for 2-(2-bromoanilino)-5-chlorobenzoic acid?
The canonical SMILES for 2-(2-bromoanilino)-5-chlorobenzoic acid is O=C(O)c1cc(Cl)ccc1Nc1ccccc1Br.
What is the InChIKey of 2-(2-bromoanilino)-5-chlorobenzoic acid?
The InChIKey is OHKCGAPYACJGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)16-11-6-5-8(15)7-9(11)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-(2-bromoanilino)-5-chlorobenzoic acid?
2-(2-bromoanilino)-5-chlorobenzoic acid has a molecular weight of 326.58 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-5-chlorobenzoic acid is sourced from PubChem (CID 55225473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).