4-(3-bromoanilino)benzoic acid

C13H10BrNO2 — CID 55049149

IUPAC4-(3-bromoanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrNO2/c14-10-2-1-3-12(8-10)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17)
InChIKeyLZRBBVAADDLDHF-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.89
Rot. Bonds3

About 4-(3-bromoanilino)benzoic acid

4-(3-bromoanilino)benzoic acid (PubChem CID 55049149) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 4-(3-bromoanilino)benzoic acid.

Molecular Properties

Compound Name4-(3-bromoanilino)benzoic acid
PubChem CID55049149
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name4-(3-bromoanilino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cccc(Br)c2)cc1
InChIInChI=1S/C13H10BrNO2/c14-10-2-1-3-12(8-10)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17)
InChIKeyLZRBBVAADDLDHF-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
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4-[(3-bromophenyl)sulfamoylmethyl]benzoic acid
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4-(3-bromo-4-carbamoylanilino)benzoic acid
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4-(3,4-dimethylanilino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)benzoic acid?
The IUPAC name of 4-(3-bromoanilino)benzoic acid (CID 55049149) is 4-(3-bromoanilino)benzoic acid.
What is the SMILES notation for 4-(3-bromoanilino)benzoic acid?
The canonical SMILES for 4-(3-bromoanilino)benzoic acid is O=C(O)c1ccc(Nc2cccc(Br)c2)cc1.
What is the InChIKey of 4-(3-bromoanilino)benzoic acid?
The InChIKey is LZRBBVAADDLDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-10-2-1-3-12(8-10)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17).
What are the key properties of 4-(3-bromoanilino)benzoic acid?
4-(3-bromoanilino)benzoic acid has a molecular weight of 292.13 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)benzoic acid is sourced from PubChem (CID 55049149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).