4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide

C23H19NO4 — CID 1327317

IUPAC4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2O1
InChIInChI=1S/C23H19NO4/c1-23(2)27-19-13-12-18(14-20(19)28-23)24-22(26)17-10-8-16(9-11-17)21(25)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,26)
InChIKeyMCLWEMXBJGVXNN-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.68
Rot. Bonds4

About 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide

4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide (PubChem CID 1327317) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
PubChem CID1327317
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2O1
InChIInChI=1S/C23H19NO4/c1-23(2)27-19-13-12-18(14-20(19)28-23)24-22(26)17-10-8-16(9-11-17)21(25)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,26)
InChIKeyMCLWEMXBJGVXNN-UHFFFAOYSA-N
XLogP4.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylaminomethyl)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 55799960
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,4,5-triethoxybenzamide
CID 55727633
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55727905
N-(2,2-dimethyl-3,4-dihydrochromen-6-yl)benzamide
CID 139221686
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 60776316
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 55799712
4-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992760
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728150
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-sulfanylbenzamide
CID 107020546
N-[(2,2-dihydroxy-1,3-benzodioxol-5-yl)carbamothioyl]benzamide
CID 146648080
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide (CID 1327317) is 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide is CC1(C)Oc2ccc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc2O1.
What is the InChIKey of 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is MCLWEMXBJGVXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-23(2)27-19-13-12-18(14-20(19)28-23)24-22(26)17-10-8-16(9-11-17)21(25)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,24,26).
What are the key properties of 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide?
4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 373.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 1327317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).