N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide

C25H23F2N3O4 — CID 10434742

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide
SMILESCCNC(=O)NCCc1ccc(-c2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C25H23F2N3O4/c1-2-28-24(32)29-14-13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)23(31)30-18-11-12-21-22(15-18)34-25(26,27)33-21/h3-12,15H,2,13-14H2,1H3,(H,30,31)(H2,28,29,32)
InChIKeyLCIVFRRZGPWCOF-UHFFFAOYSA-N
MW467.47 g/mol
LogP4.79
Rot. Bonds7

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide (PubChem CID 10434742) has the molecular formula C25H23F2N3O4 and a molecular weight of 467.47 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide
PubChem CID10434742
Molecular FormulaC25H23F2N3O4
Molecular Weight467.47 g/mol
Exact Mass467.17
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide
SMILESCCNC(=O)NCCc1ccc(-c2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1
InChIInChI=1S/C25H23F2N3O4/c1-2-28-24(32)29-14-13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)23(31)30-18-11-12-21-22(15-18)34-25(26,27)33-21/h3-12,15H,2,13-14H2,1H3,(H,30,31)(H2,28,29,32)
InChIKeyLCIVFRRZGPWCOF-UHFFFAOYSA-N
XLogP4.79
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide (CID 10434742) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide is CCNC(=O)NCCc1ccc(-c2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide?
The InChIKey is LCIVFRRZGPWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O4/c1-2-28-24(32)29-14-13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)23(31)30-18-11-12-21-22(15-18)34-25(26,27)33-21/h3-12,15H,2,13-14H2,1H3,(H,30,31)(H2,28,29,32).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide has a molecular weight of 467.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[2-(ethylcarbamoylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 10434742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).