2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide

C22H20Cl2N2O5 — CID 43056010

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(OCC2CCCO2)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C22H20Cl2N2O5/c1-12(26-21(28)16-9-18(23)19(24)10-17(16)22(26)29)20(27)25-13-4-2-5-14(8-13)31-11-15-6-3-7-30-15/h2,4-5,8-10,12,15H,3,6-7,11H2,1H3,(H,25,27)
InChIKeyMXENCEWEXKAJTD-UHFFFAOYSA-N
MW463.32 g/mol
LogP4.17
Rot. Bonds6

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide (PubChem CID 43056010) has the molecular formula C22H20Cl2N2O5 and a molecular weight of 463.32 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
PubChem CID43056010
Molecular FormulaC22H20Cl2N2O5
Molecular Weight463.32 g/mol
Exact Mass462.07
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(OCC2CCCO2)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C22H20Cl2N2O5/c1-12(26-21(28)16-9-18(23)19(24)10-17(16)22(26)29)20(27)25-13-4-2-5-14(8-13)31-11-15-6-3-7-30-15/h2,4-5,8-10,12,15H,3,6-7,11H2,1H3,(H,25,27)
InChIKeyMXENCEWEXKAJTD-UHFFFAOYSA-N
XLogP4.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.32
LogP ≤ 54.17
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

1-(3-chlorophenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445181
1-(3-chlorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41445173
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17141875
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119284120
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
1-[(2S)-4-methoxybutan-2-yl]-3-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 95288894

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide (CID 43056010) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide is CC(C(=O)Nc1cccc(OCC2CCCO2)c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
The InChIKey is MXENCEWEXKAJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5/c1-12(26-21(28)16-9-18(23)19(24)10-17(16)22(26)29)20(27)25-13-4-2-5-14(8-13)31-11-15-6-3-7-30-15/h2,4-5,8-10,12,15H,3,6-7,11H2,1H3,(H,25,27).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide has a molecular weight of 463.32 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 43056010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).