4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide

C23H20N2O4 — CID 2945038

IUPAC4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-22(24-14-19-15-28-20-8-4-5-9-21(20)29-19)17-10-12-18(13-11-17)25-23(27)16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,24,26)(H,25,27)
InChIKeySDXIACZLEZXWRA-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.51
Rot. Bonds5

About 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide

4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide (PubChem CID 2945038) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
PubChem CID2945038
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
SMILESO=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-22(24-14-19-15-28-20-8-4-5-9-21(20)29-19)17-10-12-18(13-11-17)25-23(27)16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,24,26)(H,25,27)
InChIKeySDXIACZLEZXWRA-UHFFFAOYSA-N
XLogP3.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]benzamide
CID 2197223
N-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 2197267
5-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 2945325
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(ethylsulfonylamino)benzamide
CID 100577677
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylurea
CID 4738249
4-cyano-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide
CID 42994565
1-benzamido-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]urea
CID 38169413
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethylbenzamide
CID 40551299
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753
4-cyclopentylsulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 94344396
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The IUPAC name of 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide (CID 2945038) is 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The canonical SMILES for 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide is O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
The InChIKey is SDXIACZLEZXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(24-14-19-15-28-20-8-4-5-9-21(20)29-19)17-10-12-18(13-11-17)25-23(27)16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide?
4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide has a molecular weight of 388.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)benzamide is sourced from PubChem (CID 2945038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).