2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid

C16H14BrNO3 — CID 115295759

IUPAC2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid
SMILESCCc1ccccc1C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C16H14BrNO3/c1-2-10-5-3-4-6-12(10)15(19)18-11-7-8-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyRHGOEIUAIBJSEN-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.96
Rot. Bonds4

About 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid

2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid (PubChem CID 115295759) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid
PubChem CID115295759
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid
SMILESCCc1ccccc1C(=O)Nc1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C16H14BrNO3/c1-2-10-5-3-4-6-12(10)15(19)18-11-7-8-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyRHGOEIUAIBJSEN-UHFFFAOYSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
2-bromo-5-(2-methylpropanoylamino)benzoic acid
CID 115295746
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-5-(pentanoylamino)benzoic acid
CID 115295715
4-[(2-bromobenzoyl)amino]-2-chlorobenzoic acid
CID 28667151
2-bromo-5-(propylcarbamoylamino)benzoic acid
CID 115295944
5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-bromobenzoic acid
CID 115296327
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902
2-[4-[(2-ethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 120528707
2-bromo-5-(dimethylcarbamoylamino)benzoic acid
CID 115295927

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid (CID 115295759) is 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid is CCc1ccccc1C(=O)Nc1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid?
The InChIKey is RHGOEIUAIBJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-2-10-5-3-4-6-12(10)15(19)18-11-7-8-14(17)13(9-11)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid?
2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid has a molecular weight of 348.20 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-ethylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 115295759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).