2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid

C15H11Br2NO3 — CID 107937906

IUPAC2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2NO3/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)
InChIKeyZVIZQZOUVIAZHA-UHFFFAOYSA-N
MW413.07 g/mol
LogP4.09
Rot. Bonds4

About 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid

2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid (PubChem CID 107937906) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
PubChem CID107937906
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Name2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2NO3/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)
InChIKeyZVIZQZOUVIAZHA-UHFFFAOYSA-N
XLogP4.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
2-[2-[(2-bromo-5-chlorobenzoyl)amino]phenyl]acetic acid
CID 103803917
4-bromo-N-[2-(bromomethyl)phenyl]-2-fluorobenzamide
CID 114309734
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
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
3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407
2,4-dibromo-N-(2-propan-2-yloxyphenyl)benzamide
CID 103885259
4-bromo-N-(2-ethylphenyl)-2-methoxybenzamide
CID 78987528

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid (CID 107937906) is 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid?
The InChIKey is ZVIZQZOUVIAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/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-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid?
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid has a molecular weight of 413.07 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 107937906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).