2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid

C11H11Cl2NO3 — CID 54901309

IUPAC2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO3/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)
InChIKeyPERFKGHUNLUDQT-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid

2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid (PubChem CID 54901309) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
PubChem CID54901309
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H11Cl2NO3/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)
InChIKeyPERFKGHUNLUDQT-UHFFFAOYSA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-2-fluorobenzoyl)-ethylamino]acetic acid
CID 81267588
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 82546684
2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
CID 63393170
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
2-[(2-chloro-4-methylbenzoyl)-ethylamino]acetic acid
CID 106860509
3-chloro-N,N-diethyl-2-hydroxybenzamide
CID 68591956
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
2-[(3-bromo-2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423704
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid (CID 54901309) is 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid?
The InChIKey is PERFKGHUNLUDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3/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-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid?
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid has a molecular weight of 276.12 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid is sourced from PubChem (CID 54901309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).