4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid

C14H15Cl2NO4 — CID 66245241

IUPAC4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccc(Cl)cc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C14H15Cl2NO4/c1-2-17(12-7-21-6-10(12)14(19)20)13(18)9-4-3-8(15)5-11(9)16/h3-5,10,12H,2,6-7H2,1H3,(H,19,20)
InChIKeyYWHSQYKWGBTSNU-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.56
Rot. Bonds4

About 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid

4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66245241) has the molecular formula C14H15Cl2NO4 and a molecular weight of 332.18 g/mol. Its IUPAC name is 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID66245241
Molecular FormulaC14H15Cl2NO4
Molecular Weight332.18 g/mol
Exact Mass331.04
IUPAC Name4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)c1ccc(Cl)cc1Cl)C1COCC1C(=O)O
InChIInChI=1S/C14H15Cl2NO4/c1-2-17(12-7-21-6-10(12)14(19)20)13(18)9-4-3-8(15)5-11(9)16/h3-5,10,12H,2,6-7H2,1H3,(H,19,20)
InChIKeyYWHSQYKWGBTSNU-UHFFFAOYSA-N
XLogP2.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-methylbenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872052
4-[(3-chloro-4-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 82872449
4-[ethyl-(2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66245238
4-[1-(2,4-dichlorophenyl)ethyl-ethylamino]oxolane-3-carboxylic acid
CID 66247505
4-[(4-bromo-3-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 81290208
4-[(3-bromo-4-chlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107997975
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66463005
4-[ethyl-(2-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66248007
4-[(4-chloro-2-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237354
4-[(3,4-dihydroxybenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107728145
4-[(3-bromo-2-fluorobenzoyl)-ethylamino]oxolane-3-carboxylic acid
CID 107949307
4-[ethyl-(4-methoxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66245647

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid (CID 66245241) is 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)c1ccc(Cl)cc1Cl)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is YWHSQYKWGBTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO4/c1-2-17(12-7-21-6-10(12)14(19)20)13(18)9-4-3-8(15)5-11(9)16/h3-5,10,12H,2,6-7H2,1H3,(H,19,20).
What are the key properties of 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 332.18 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorobenzoyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).