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

C15H11BrFNO3 — CID 62537050

IUPAC2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFNO3/c16-10-5-6-11(12(17)8-10)15(21)18-13-4-2-1-3-9(13)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyDIWIHCCVWSLXMP-UHFFFAOYSA-N
MW352.16 g/mol
LogP3.47
Rot. Bonds4

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

2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid (PubChem CID 62537050) has the molecular formula C15H11BrFNO3 and a molecular weight of 352.16 g/mol. Its IUPAC name is 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
PubChem CID62537050
Molecular FormulaC15H11BrFNO3
Molecular Weight352.16 g/mol
Exact Mass350.99
IUPAC Name2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrFNO3/c16-10-5-6-11(12(17)8-10)15(21)18-13-4-2-1-3-9(13)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyDIWIHCCVWSLXMP-UHFFFAOYSA-N
XLogP3.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.16
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
4-bromo-2-fluoro-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706798
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
CID 103803917
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
4-bromo-2-fluoro-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 134012574
5-bromo-2-fluoro-N-(2-fluorophenyl)benzamide
CID 24699182
N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
CID 43549821

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid (CID 62537050) is 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid?
The InChIKey is DIWIHCCVWSLXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO3/c16-10-5-6-11(12(17)8-10)15(21)18-13-4-2-1-3-9(13)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20).
What are the key properties of 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid?
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid has a molecular weight of 352.16 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 2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62537050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).