diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate

C24H24Cl2N2O7 — CID 155964718

IUPACdiethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)N1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C24H24Cl2N2O7/c1-3-34-23(32)18-9-10-19(24(33)35-4-2)28(18)22(31)15-7-6-14(12-20(15)29)27-21(30)13-5-8-16(25)17(26)11-13/h5-8,11-12,18-19,29H,3-4,9-10H2,1-2H3,(H,27,30)
InChIKeyZQWIOZIHCIBXRK-UHFFFAOYSA-N
MW523.37 g/mol
LogP4.05
Rot. Bonds7

About diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate

diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate (PubChem CID 155964718) has the molecular formula C24H24Cl2N2O7 and a molecular weight of 523.37 g/mol. Its IUPAC name is diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate
PubChem CID155964718
Molecular FormulaC24H24Cl2N2O7
Molecular Weight523.37 g/mol
Exact Mass522.10
IUPAC Namediethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate
SMILESCCOC(=O)C1CCC(C(=O)OCC)N1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C24H24Cl2N2O7/c1-3-34-23(32)18-9-10-19(24(33)35-4-2)28(18)22(31)15-7-6-14(12-20(15)29)27-21(30)13-5-8-16(25)17(26)11-13/h5-8,11-12,18-19,29H,3-4,9-10H2,1-2H3,(H,27,30)
InChIKeyZQWIOZIHCIBXRK-UHFFFAOYSA-N
XLogP4.05
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.37
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-chloro-4-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 28669002
3,4-dichloro-N-[3-hydroxy-4-[1-(4-methylpiperazin-1-yl)propan-2-ylcarbamoyl]phenyl]benzamide
CID 146097559
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
N-(3-amino-4-methylphenyl)-3,4-dichlorobenzamide
CID 24695862
ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 110191700
[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 166324859
ethyl 5-[(3,4-dichlorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761476
3-chloro-N-(4-chloro-3-hydroxyphenyl)-4-hydroxybenzamide
CID 64788669
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
3,4-dichloro-N-[4-[(2-hydroxybenzoyl)amino]phenyl]benzamide
CID 624416
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357
ethyl 4-acetamido-2-hydroxybenzoate
CID 11665741

Frequently Asked Questions

What is the IUPAC name of diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate?
The IUPAC name of diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate (CID 155964718) is diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate?
The canonical SMILES for diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate is CCOC(=O)C1CCC(C(=O)OCC)N1C(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O.
What is the InChIKey of diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate?
The InChIKey is ZQWIOZIHCIBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O7/c1-3-34-23(32)18-9-10-19(24(33)35-4-2)28(18)22(31)15-7-6-14(12-20(15)29)27-21(30)13-5-8-16(25)17(26)11-13/h5-8,11-12,18-19,29H,3-4,9-10H2,1-2H3,(H,27,30).
What are the key properties of diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate?
diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate has a molecular weight of 523.37 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-[4-[(3,4-dichlorobenzoyl)amino]-2-hydroxybenzoyl]pyrrolidine-2,5-dicarboxylate is sourced from PubChem (CID 155964718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).