N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C22H16ClNO4 — CID 1326741

IUPACN-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H16ClNO4/c23-16-7-8-18(17(13-16)21(25)14-4-2-1-3-5-14)24-22(26)15-6-9-19-20(12-15)28-11-10-27-19/h1-9,12-13H,10-11H2,(H,24,26)
InChIKeyPURLFPZUROPVKC-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.59
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 1326741) has the molecular formula C22H16ClNO4 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID1326741
Molecular FormulaC22H16ClNO4
Molecular Weight393.83 g/mol
Exact Mass393.08
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H16ClNO4/c23-16-7-8-18(17(13-16)21(25)14-4-2-1-3-5-14)24-22(26)15-6-9-19-20(12-15)28-11-10-27-19/h1-9,12-13H,10-11H2,(H,24,26)
InChIKeyPURLFPZUROPVKC-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17103251
N-(2-benzoyl-4-bromophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 23770948
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103766761
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719
3-bromo-N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 3475244
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-3-chloro-4-methoxybenzamide
CID 2296038
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26364276
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
1-(7-benzoyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-chlorophenyl)urea
CID 7333467

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 1326741) is N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is PURLFPZUROPVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO4/c23-16-7-8-18(17(13-16)21(25)14-4-2-1-3-5-14)24-22(26)15-6-9-19-20(12-15)28-11-10-27-19/h1-9,12-13H,10-11H2,(H,24,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 1326741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).