3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid

C15H12BrNO4 — CID 63112944

IUPAC3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(O)cc1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H12BrNO4/c16-12-3-1-2-11(15(20)21)14(12)17-13(19)8-9-4-6-10(18)7-5-9/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeyLYIUATFBEXTWSR-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.03
Rot. Bonds4

About 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid

3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid (PubChem CID 63112944) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
PubChem CID63112944
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
SMILESO=C(Cc1ccc(O)cc1)Nc1c(Br)cccc1C(=O)O
InChIInChI=1S/C15H12BrNO4/c16-12-3-1-2-11(15(20)21)14(12)17-13(19)8-9-4-6-10(18)7-5-9/h1-7,18H,8H2,(H,17,19)(H,20,21)
InChIKeyLYIUATFBEXTWSR-UHFFFAOYSA-N
XLogP3.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-[(2-phenylacetyl)amino]benzoic acid
CID 63112938
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
3-bromo-2-[(2-thiophen-3-ylacetyl)amino]benzoic acid
CID 55176730
3-bromo-2-[[2-(3-chlorophenyl)acetyl]amino]benzoic acid
CID 63112855
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid
CID 107721654
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-bromobenzoic acid
CID 63113236
3-bromo-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 63113163
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965
3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147183
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid (CID 63112944) is 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid is O=C(Cc1ccc(O)cc1)Nc1c(Br)cccc1C(=O)O.
What is the InChIKey of 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
The InChIKey is LYIUATFBEXTWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c16-12-3-1-2-11(15(20)21)14(12)17-13(19)8-9-4-6-10(18)7-5-9/h1-7,18H,8H2,(H,17,19)(H,20,21).
What are the key properties of 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid?
3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid has a molecular weight of 350.17 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 63112944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).