2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid

C15H12BrNO4 — CID 62534197

IUPAC2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H12BrNO4/c16-10-5-6-11(13(18)8-10)15(21)17-12-4-2-1-3-9(12)7-14(19)20/h1-6,8,18H,7H2,(H,17,21)(H,19,20)
InChIKeyUXVHHDSRJPXBQG-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.03
Rot. Bonds4

About 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid

2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid (PubChem CID 62534197) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
PubChem CID62534197
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C15H12BrNO4/c16-10-5-6-11(13(18)8-10)15(21)17-12-4-2-1-3-9(12)7-14(19)20/h1-6,8,18H,7H2,(H,17,21)(H,19,20)
InChIKeyUXVHHDSRJPXBQG-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

2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
2-[2-[(2-hydroxy-5-methylbenzoyl)amino]phenyl]acetic acid
CID 62535909
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
CID 103803917
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
N-[2-(aminomethyl)phenyl]-4-bromo-2-methylbenzamide
CID 64882517
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid (CID 62534197) is 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
The InChIKey is UXVHHDSRJPXBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c16-10-5-6-11(13(18)8-10)15(21)17-12-4-2-1-3-9(12)7-14(19)20/h1-6,8,18H,7H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid?
2-[2-[(4-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-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62534197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).