2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid

C13H13BrFNO3 — CID 43163063

IUPAC2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1ccc(F)cc1Br)(C(=O)O)C1CC1
InChIInChI=1S/C13H13BrFNO3/c1-13(12(18)19,7-2-3-7)16-11(17)9-5-4-8(15)6-10(9)14/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyQQKGQNOOIRFDMJ-UHFFFAOYSA-N
MW330.15 g/mol
LogP2.57
Rot. Bonds4

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

2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 43163063) has the molecular formula C13H13BrFNO3 and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
PubChem CID43163063
Molecular FormulaC13H13BrFNO3
Molecular Weight330.15 g/mol
Exact Mass329.01
IUPAC Name2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)c1ccc(F)cc1Br)(C(=O)O)C1CC1
InChIInChI=1S/C13H13BrFNO3/c1-13(12(18)19,7-2-3-7)16-11(17)9-5-4-8(15)6-10(9)14/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyQQKGQNOOIRFDMJ-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methylcarbamoylamino]-2-cyclopropylpropanoic acid
CID 43101313
2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
CID 56522962
2-cyclopropyl-2-[(5-fluoropyridine-2-carbonyl)amino]propanoic acid
CID 113435792
2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2-cyclopropyl-2-[(5-fluoropyridine-3-carbonyl)amino]propanoic acid
CID 113452810
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
2-[(3-bromopyridine-2-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 107516988
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-[(2-bromo-5-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 61262982
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
CID 43341305

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid (CID 43163063) is 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid is CC(NC(=O)c1ccc(F)cc1Br)(C(=O)O)C1CC1.
What is the InChIKey of 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is QQKGQNOOIRFDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO3/c1-13(12(18)19,7-2-3-7)16-11(17)9-5-4-8(15)6-10(9)14/h4-7H,2-3H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid?
2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 330.15 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 43163063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).