4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid

C12H12Cl2N2O4 — CID 82833163

IUPAC4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESNc1c(Cl)cc(C(=O)NC2COCC2C(=O)O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c13-7-1-5(2-8(14)10(7)15)11(17)16-9-4-20-3-6(9)12(18)19/h1-2,6,9H,3-4,15H2,(H,16,17)(H,18,19)
InChIKeyLMLHFTMIFDLYCF-UHFFFAOYSA-N
MW319.14 g/mol
LogP1.40
Rot. Bonds3

About 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid

4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 82833163) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID82833163
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESNc1c(Cl)cc(C(=O)NC2COCC2C(=O)O)cc1Cl
InChIInChI=1S/C12H12Cl2N2O4/c13-7-1-5(2-8(14)10(7)15)11(17)16-9-4-20-3-6(9)12(18)19/h1-2,6,9H,3-4,15H2,(H,16,17)(H,18,19)
InChIKeyLMLHFTMIFDLYCF-UHFFFAOYSA-N
XLogP1.40
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-amino-4-chlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66239735
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
4-[(3-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 80644088
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
4-[(4-amino-3,5-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 82811425
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
(3R,4S)-4-[(5-chlorothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 69438976
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]oxolane-3-carboxylic acid
CID 114326740
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid (CID 82833163) is 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid is Nc1c(Cl)cc(C(=O)NC2COCC2C(=O)O)cc1Cl.
What is the InChIKey of 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is LMLHFTMIFDLYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c13-7-1-5(2-8(14)10(7)15)11(17)16-9-4-20-3-6(9)12(18)19/h1-2,6,9H,3-4,15H2,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid?
4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 319.14 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 82833163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).