N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide

C25H19Cl2NO4 — CID 2969858

IUPACN-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide
SMILESO=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc(C2CC2(Cl)Cl)cc1
InChIInChI=1S/C25H19Cl2NO4/c26-25(27)14-19(25)15-6-8-17(9-7-15)24(30)28-20-13-22-21(31-10-11-32-22)12-18(20)23(29)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11,14H2,(H,28,30)
InChIKeyKSBYDXZIKBSNIU-UHFFFAOYSA-N
MW468.34 g/mol
LogP5.60
Rot. Bonds5

About N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide

N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide (PubChem CID 2969858) has the molecular formula C25H19Cl2NO4 and a molecular weight of 468.34 g/mol. Its IUPAC name is N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide.

Molecular Properties

Compound NameN-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide
PubChem CID2969858
Molecular FormulaC25H19Cl2NO4
Molecular Weight468.34 g/mol
Exact Mass467.07
IUPAC NameN-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide
SMILESO=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc(C2CC2(Cl)Cl)cc1
InChIInChI=1S/C25H19Cl2NO4/c26-25(27)14-19(25)15-6-8-17(9-7-15)24(30)28-20-13-22-21(31-10-11-32-22)12-18(20)23(29)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11,14H2,(H,28,30)
InChIKeyKSBYDXZIKBSNIU-UHFFFAOYSA-N
XLogP5.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-nitrobenzamide
CID 5297900
3-bromo-N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 3475244
N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1326741
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
1-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-chlorophenyl)urea
CID 7333467
N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
CID 4242967
N-(2-benzoyl-4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 23770948
2-iodo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1248249
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-methylbenzamide
CID 3286357
2-[(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)hydrazinylidene]propanedinitrile
CID 169339144

Frequently Asked Questions

What is the IUPAC name of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide?
The IUPAC name of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide (CID 2969858) is N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide.
What is the SMILES notation for N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide?
The canonical SMILES for N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide is O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc(C2CC2(Cl)Cl)cc1.
What is the InChIKey of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide?
The InChIKey is KSBYDXZIKBSNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2NO4/c26-25(27)14-19(25)15-6-8-17(9-7-15)24(30)28-20-13-22-21(31-10-11-32-22)12-18(20)23(29)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11,14H2,(H,28,30).
What are the key properties of N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide?
N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide has a molecular weight of 468.34 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,2-dichlorocyclopropyl)benzamide is sourced from PubChem (CID 2969858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).