N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C15H10ClN3O4 — CID 4902362

IUPACN-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESO=C(Nc1cccc2nonc12)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C15H10ClN3O4/c16-9-7-13-12(21-4-5-22-13)6-8(9)15(20)17-10-2-1-3-11-14(10)19-23-18-11/h1-3,6-7H,4-5H2,(H,17,20)
InChIKeyDOKMDRCPPCFWMH-UHFFFAOYSA-N
MW331.72 g/mol
LogP2.90
Rot. Bonds2

About N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 4902362) has the molecular formula C15H10ClN3O4 and a molecular weight of 331.72 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID4902362
Molecular FormulaC15H10ClN3O4
Molecular Weight331.72 g/mol
Exact Mass331.04
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESO=C(Nc1cccc2nonc12)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C15H10ClN3O4/c16-9-7-13-12(21-4-5-22-13)6-8(9)15(20)17-10-2-1-3-11-14(10)19-23-18-11/h1-3,6-7H,4-5H2,(H,17,20)
InChIKeyDOKMDRCPPCFWMH-UHFFFAOYSA-N
XLogP2.90
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 4898255
N-(2,1,3-benzoxadiazol-4-yl)acetamide
CID 585399
N-(2,1,3-benzoxadiazol-4-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enamide
CID 4901592
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)quinoline-5-carboxamide
CID 34278013
N-(2,1,3-benzoxadiazol-4-yl)-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 4972157
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
CID 115497158
N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 4897775
6-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl chloride
CID 82632082
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylquinoline-3-carboxamide
CID 39821091
N'-(4-bromobenzoyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 1283505
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149224
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(difluoromethoxy)benzamide
CID 24556582

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 4902362) is N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide is O=C(Nc1cccc2nonc12)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is DOKMDRCPPCFWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4/c16-9-7-13-12(21-4-5-22-13)6-8(9)15(20)17-10-2-1-3-11-14(10)19-23-18-11/h1-3,6-7H,4-5H2,(H,17,20).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 331.72 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 4902362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).