N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C23H17ClN2O4 — CID 3512680

IUPACN-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H17ClN2O4/c24-15-10-11-20(30-16-6-2-1-3-7-16)19(14-15)25-21(27)12-13-26-22(28)17-8-4-5-9-18(17)23(26)29/h1-11,14H,12-13H2,(H,25,27)
InChIKeyRILYWWJBXFUSNQ-UHFFFAOYSA-N
MW420.85 g/mol
LogP4.76
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 3512680) has the molecular formula C23H17ClN2O4 and a molecular weight of 420.85 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID3512680
Molecular FormulaC23H17ClN2O4
Molecular Weight420.85 g/mol
Exact Mass420.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C23H17ClN2O4/c24-15-10-11-20(30-16-6-2-1-3-7-16)19(14-15)25-21(27)12-13-26-22(28)17-8-4-5-9-18(17)23(26)29/h1-11,14H,12-13H2,(H,25,27)
InChIKeyRILYWWJBXFUSNQ-UHFFFAOYSA-N
XLogP4.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.85
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 3512680) is N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is RILYWWJBXFUSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O4/c24-15-10-11-20(30-16-6-2-1-3-7-16)19(14-15)25-21(27)12-13-26-22(28)17-8-4-5-9-18(17)23(26)29/h1-11,14H,12-13H2,(H,25,27).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 420.85 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 3512680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).