N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

C19H15FN2O5 — CID 113202708

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15FN2O5/c20-13-3-1-2-12-17(13)19(25)22(18(12)24)7-6-16(23)21-9-11-4-5-14-15(8-11)27-10-26-14/h1-5,8H,6-7,9-10H2,(H,21,23)
InChIKeyHFLBKTNPAHQHCL-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.86
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 113202708) has the molecular formula C19H15FN2O5 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID113202708
Molecular FormulaC19H15FN2O5
Molecular Weight370.34 g/mol
Exact Mass370.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2cccc(F)c2C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15FN2O5/c20-13-3-1-2-12-17(13)19(25)22(18(12)24)7-6-16(23)21-9-11-4-5-14-15(8-11)27-10-26-14/h1-5,8H,6-7,9-10H2,(H,21,23)
InChIKeyHFLBKTNPAHQHCL-UHFFFAOYSA-N
XLogP1.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.86
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-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9036242
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 9452818
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzyl-2,3-dioxopiperazin-1-yl)propanamide
CID 46344339
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 78786604
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 108998808
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18108119
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 35322727
3-(4-fluoro-1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide (CID 113202708) is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2cccc(F)c2C1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is HFLBKTNPAHQHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O5/c20-13-3-1-2-12-17(13)19(25)22(18(12)24)7-6-16(23)21-9-11-4-5-14-15(8-11)27-10-26-14/h1-5,8H,6-7,9-10H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 370.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 113202708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).