(1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate

C18H12Cl2N2O5 — CID 7843845

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12Cl2N2O5/c19-10-5-6-13(14(20)7-10)16(24)21-8-15(23)27-9-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-7H,8-9H2,(H,21,24)
InChIKeyPAOPAMPPXRTONK-UHFFFAOYSA-N
MW407.21 g/mol
LogP2.52
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate

(1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 7843845) has the molecular formula C18H12Cl2N2O5 and a molecular weight of 407.21 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID7843845
Molecular FormulaC18H12Cl2N2O5
Molecular Weight407.21 g/mol
Exact Mass406.01
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H12Cl2N2O5/c19-10-5-6-13(14(20)7-10)16(24)21-8-15(23)27-9-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-7H,8-9H2,(H,21,24)
InChIKeyPAOPAMPPXRTONK-UHFFFAOYSA-N
XLogP2.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3990198
N-[(4-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 3579153
(1,3-Dioxoisoindol-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7998387
(1,3-Dioxoisoindol-2-yl)methyl 2-benzamidoacetate
CID 7034975
N-[(2,4-dichlorophenyl)methyl]-2-ethyl-3-oxo-2,3-dihydro-1H-isoindole-1-carboxamide
CID 25029940
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-oxo-1H-isoindole-1-carboxamide
CID 25029942
2-(2,4-Dichlorobenzyl)isoindoline-1,3-dione
CID 854173
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 4857826
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843825
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9113795
2-(2,6-dichlorobenzyl)-1H-isoindole-1,3(2H)-dione
CID 894059
2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 736778

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 7843845) is (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is PAOPAMPPXRTONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O5/c19-10-5-6-13(14(20)7-10)16(24)21-8-15(23)27-9-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-7H,8-9H2,(H,21,24).
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
(1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 407.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7843845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).