2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid

C11H10ClFN2O4 — CID 107998136

IUPAC2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN2O4/c12-7-2-1-6(3-8(7)13)11(19)15(4-9(14)16)5-10(17)18/h1-3H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyKUCZERCTHPZVCH-UHFFFAOYSA-N
MW288.66 g/mol
LogP0.49
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid (PubChem CID 107998136) has the molecular formula C11H10ClFN2O4 and a molecular weight of 288.66 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
PubChem CID107998136
Molecular FormulaC11H10ClFN2O4
Molecular Weight288.66 g/mol
Exact Mass288.03
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN2O4/c12-7-2-1-6(3-8(7)13)11(19)15(4-9(14)16)5-10(17)18/h1-3H,4-5H2,(H2,14,16)(H,17,18)
InChIKeyKUCZERCTHPZVCH-UHFFFAOYSA-N
XLogP0.49
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.66
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[(2-amino-2-oxoethyl)-(3,4-dihydroxybenzoyl)amino]acetic acid
CID 107728235
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
CID 103707264
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-4-chloro-3-fluoro-N-methylbenzamide
CID 107992430
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
CID 107433914
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
N-(2-amino-2-oxoethyl)-4-chloro-3-methyl-N-(2-methylpropyl)benzamide
CID 91659506
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
4-chloro-3-fluorobenzoic acid
CID 2736536
2-[(2-amino-2-oxoethyl)-[4-(difluoromethoxy)benzoyl]amino]acetic acid
CID 107434577

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid (CID 107998136) is 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid?
The InChIKey is KUCZERCTHPZVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O4/c12-7-2-1-6(3-8(7)13)11(19)15(4-9(14)16)5-10(17)18/h1-3H,4-5H2,(H2,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid has a molecular weight of 288.66 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid is sourced from PubChem (CID 107998136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).