N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide

C19H17ClN2O4 — CID 113082264

IUPACN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN2C(=O)c3ccc(Cl)cc3C2=O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-26-14-5-2-12(3-6-14)10-17(23)21-8-9-22-18(24)15-7-4-13(20)11-16(15)19(22)25/h2-7,11H,8-10H2,1H3,(H,21,23)
InChIKeySXFXALJMEJNYCQ-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113082264) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID113082264
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN2C(=O)c3ccc(Cl)cc3C2=O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-26-14-5-2-12(3-6-14)10-17(23)21-8-9-22-18(24)15-7-4-13(20)11-16(15)19(22)25/h2-7,11H,8-10H2,1H3,(H,21,23)
InChIKeySXFXALJMEJNYCQ-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 113083485
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
4-chloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082271
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113202301
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113201488
3,4-dichloro-N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]benzamide
CID 113082254
2-tert-butyl-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108538828
3-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(dimethylamino)ethyl]propanamide
CID 113202264
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 19259064
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
2-(4-methoxyphenyl)-N-[2-(2-oxo-3H-indol-1-yl)ethyl]acetamide
CID 110730034

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide (CID 113082264) is N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN2C(=O)c3ccc(Cl)cc3C2=O)cc1.
What is the InChIKey of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is SXFXALJMEJNYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-26-14-5-2-12(3-6-14)10-17(23)21-8-9-22-18(24)15-7-4-13(20)11-16(15)19(22)25/h2-7,11H,8-10H2,1H3,(H,21,23).
What are the key properties of N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113082264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).