2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid

C11H11ClFNO3 — CID 81267588

IUPAC2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c1-2-14(6-9(15)16)11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyFPOJQCIZRUZFRL-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.03
Rot. Bonds4

About 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid

2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid (PubChem CID 81267588) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
PubChem CID81267588
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C11H11ClFNO3/c1-2-14(6-9(15)16)11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyFPOJQCIZRUZFRL-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,N-diethyl-2-fluorobenzamide
CID 80949009
3-[(3-chloro-2-fluorobenzoyl)-ethylamino]propanoic acid
CID 81267764
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
N-butyl-3-chloro-N-(2-chloroethyl)-2-fluorobenzamide
CID 81262386
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 82546684
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
N-(2-amino-2-oxoethyl)-N-ethyl-2,3-difluorobenzamide
CID 103101747
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid (CID 81267588) is 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid?
The InChIKey is FPOJQCIZRUZFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-2-14(6-9(15)16)11(17)7-4-3-5-8(12)10(7)13/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid?
2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid has a molecular weight of 259.66 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid is sourced from PubChem (CID 81267588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).