2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid

C11H10BrFN2O4 — CID 114019599

IUPAC2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN2O4/c12-7-3-6(1-2-8(7)13)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyXQZAARXZEOHHQY-UHFFFAOYSA-N
MW333.11 g/mol
LogP0.52
Rot. Bonds5

About 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 114019599) has the molecular formula C11H10BrFN2O4 and a molecular weight of 333.11 g/mol. Its IUPAC name is 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid
PubChem CID114019599
Molecular FormulaC11H10BrFN2O4
Molecular Weight333.11 g/mol
Exact Mass331.98
IUPAC Name2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H10BrFN2O4/c12-7-3-6(1-2-8(7)13)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyXQZAARXZEOHHQY-UHFFFAOYSA-N
XLogP0.52
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-fluorobenzoyl)amino]acetic acid
CID 80502677
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
3-bromo-4-fluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528184
2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]-2-iodopropanoate
CID 107956905
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 103870021
(2S)-2-[(3-bromo-4-fluorobenzoyl)amino]butanedioic acid
CID 107949396
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
CID 107956828

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid (CID 114019599) is 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is XQZAARXZEOHHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O4/c12-7-3-6(1-2-8(7)13)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5H2,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 333.11 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 114019599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).