5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid

C10H9Br2NO2 — CID 114895980

IUPAC5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid
SMILESC=C(Br)CNc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C10H9Br2NO2/c1-6(11)5-13-9-3-2-7(12)4-8(9)10(14)15/h2-4,13H,1,5H2,(H,14,15)
InChIKeyVSXPRYPDGGHPRM-UHFFFAOYSA-N
MW335.00 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid

5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid (PubChem CID 114895980) has the molecular formula C10H9Br2NO2 and a molecular weight of 335.00 g/mol. Its IUPAC name is 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid
PubChem CID114895980
Molecular FormulaC10H9Br2NO2
Molecular Weight335.00 g/mol
Exact Mass332.90
IUPAC Name5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid
SMILESC=C(Br)CNc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C10H9Br2NO2/c1-6(11)5-13-9-3-2-7(12)4-8(9)10(14)15/h2-4,13H,1,5H2,(H,14,15)
InChIKeyVSXPRYPDGGHPRM-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.00
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(ethylamino)benzoic acid
CID 12925315
2-bromo-4-(2-bromoprop-2-enylamino)-3-fluorobenzoic acid
CID 107540479
5-bromo-2-(2-fluoroethylamino)benzoic acid
CID 130504978
5-bromo-2-(but-2-ynylamino)benzoic acid
CID 114895978
5-bromo-2-(but-3-ynylamino)benzoic acid
CID 114895820
5-bromo-2-(pyridin-4-ylmethylamino)benzoic acid
CID 58989767
5-bromo-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 114895973
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
5-bromo-2-(prop-2-enoylamino)benzoic acid
CID 62072766
2-[(2,4-dibromoanilino)methyl]prop-2-enoic acid
CID 103247263
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342777

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid (CID 114895980) is 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid is C=C(Br)CNc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid?
The InChIKey is VSXPRYPDGGHPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NO2/c1-6(11)5-13-9-3-2-7(12)4-8(9)10(14)15/h2-4,13H,1,5H2,(H,14,15).
What are the key properties of 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid?
5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid has a molecular weight of 335.00 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromoprop-2-enylamino)benzoic acid is sourced from PubChem (CID 114895980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).