2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid

C15H12BrNO4 — CID 107729404

IUPAC2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H12BrNO4/c16-10-4-5-13(18)12(8-10)15(21)17-11-3-1-2-9(6-11)7-14(19)20/h1-6,8,18H,7H2,(H,17,21)(H,19,20)
InChIKeyVCCHDSJBYVZYHH-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.03
Rot. Bonds4

About 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid

2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid (PubChem CID 107729404) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
PubChem CID107729404
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C15H12BrNO4/c16-10-4-5-13(18)12(8-10)15(21)17-11-3-1-2-9(6-11)7-14(19)20/h1-6,8,18H,7H2,(H,17,21)(H,19,20)
InChIKeyVCCHDSJBYVZYHH-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-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 5254471
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
2-[3-[(4-amino-3-bromobenzoyl)amino]phenyl]acetic acid
CID 65350471
2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
CID 103803781
3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729450
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
4-bromo-N-[3-(bromomethyl)phenyl]-2-chlorobenzamide
CID 114307309

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid (CID 107729404) is 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cc(Br)ccc2O)c1.
What is the InChIKey of 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
The InChIKey is VCCHDSJBYVZYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c16-10-4-5-13(18)12(8-10)15(21)17-11-3-1-2-9(6-11)7-14(19)20/h1-6,8,18H,7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic 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 2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 107729404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).