3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid

C14H8Br3NO3 — CID 107971617

IUPAC3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C14H8Br3NO3/c15-9-1-7(2-10(16)5-9)13(19)18-12-4-8(14(20)21)3-11(17)6-12/h1-6H,(H,18,19)(H,20,21)
InChIKeyBPVSOWPJNCHDNC-UHFFFAOYSA-N
MW477.93 g/mol
LogP4.92
Rot. Bonds3

About 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid

3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid (PubChem CID 107971617) has the molecular formula C14H8Br3NO3 and a molecular weight of 477.93 g/mol. Its IUPAC name is 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
PubChem CID107971617
Molecular FormulaC14H8Br3NO3
Molecular Weight477.93 g/mol
Exact Mass474.81
IUPAC Name3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2cc(Br)cc(Br)c2)c1
InChIInChI=1S/C14H8Br3NO3/c15-9-1-7(2-10(16)5-9)13(19)18-12-4-8(14(20)21)3-11(17)6-12/h1-6H,(H,18,19)(H,20,21)
InChIKeyBPVSOWPJNCHDNC-UHFFFAOYSA-N
XLogP4.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107729450
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3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
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3-bromo-5-hydrazinylbenzoic acid;hydrochloride
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3-bromo-5-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
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3-bromo-5-(2-methylsulfonylpropanoylamino)benzoic acid
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5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
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CID 107583869
3-[2-(azetidin-3-yl)propanoylamino]-5-bromobenzoic acid
CID 116678580

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid?
The IUPAC name of 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid (CID 107971617) is 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid is O=C(O)c1cc(Br)cc(NC(=O)c2cc(Br)cc(Br)c2)c1.
What is the InChIKey of 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid?
The InChIKey is BPVSOWPJNCHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3NO3/c15-9-1-7(2-10(16)5-9)13(19)18-12-4-8(14(20)21)3-11(17)6-12/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid?
3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid has a molecular weight of 477.93 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid is sourced from PubChem (CID 107971617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).