N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

C23H23FN2O5 — CID 42784713

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1(C)OCC(CN(Cc2c[nH]c3ccc(F)cc23)C(=O)c2ccc3c(c2)OCO3)O1
InChIInChI=1S/C23H23FN2O5/c1-23(2)30-12-17(31-23)11-26(10-15-9-25-19-5-4-16(24)8-18(15)19)22(27)14-3-6-20-21(7-14)29-13-28-20/h3-9,17,25H,10-13H2,1-2H3
InChIKeySNAYXTOTHLRNGU-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.83
Rot. Bonds5

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42784713) has the molecular formula C23H23FN2O5 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42784713
Molecular FormulaC23H23FN2O5
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCC1(C)OCC(CN(Cc2c[nH]c3ccc(F)cc23)C(=O)c2ccc3c(c2)OCO3)O1
InChIInChI=1S/C23H23FN2O5/c1-23(2)30-12-17(31-23)11-26(10-15-9-25-19-5-4-16(24)8-18(15)19)22(27)14-3-6-20-21(7-14)29-13-28-20/h3-9,17,25H,10-13H2,1-2H3
InChIKeySNAYXTOTHLRNGU-UHFFFAOYSA-N
XLogP3.83
TPSA73.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(2-phenylpyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42791830
N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 42784653
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 112513932
N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 42784651
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 113085355
N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
CID 167803421
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 3886762
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 42725647
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208047
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 42796854
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-1,3-benzodioxole-5-carboxamide
CID 3309491
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 5196720

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 42784713) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is CC1(C)OCC(CN(Cc2c[nH]c3ccc(F)cc23)C(=O)c2ccc3c(c2)OCO3)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SNAYXTOTHLRNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5/c1-23(2)30-12-17(31-23)11-26(10-15-9-25-19-5-4-16(24)8-18(15)19)22(27)14-3-6-20-21(7-14)29-13-28-20/h3-9,17,25H,10-13H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42784713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).