N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide

C16H13FN2O4 — CID 44997744

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13FN2O4/c17-10-1-3-11(4-2-10)18-15(20)16(21)19-12-5-6-13-14(9-12)23-8-7-22-13/h1-6,9H,7-8H2,(H,18,20)(H,19,21)
InChIKeyNAGAMRFNAUPXNJ-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.17
Rot. Bonds2

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide (PubChem CID 44997744) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
PubChem CID44997744
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
SMILESO=C(Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13FN2O4/c17-10-1-3-11(4-2-10)18-15(20)16(21)19-12-5-6-13-14(9-12)23-8-7-22-13/h1-6,9H,7-8H2,(H,18,20)(H,19,21)
InChIKeyNAGAMRFNAUPXNJ-UHFFFAOYSA-N
XLogP2.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892063
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 99598969
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylprop-2-enamide
CID 90480693
N-(3-bromophenyl)-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 108987680
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,6-dimethylphenyl)oxamide
CID 45000357
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorobenzoyl)benzamide
CID 36653806
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991677
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-3-(4-fluorophenyl)urea
CID 113216021
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-fluorophenyl)acetamide
CID 7458007
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide (CID 44997744) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide is O=C(Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide?
The InChIKey is NAGAMRFNAUPXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c17-10-1-3-11(4-2-10)18-15(20)16(21)19-12-5-6-13-14(9-12)23-8-7-22-13/h1-6,9H,7-8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide has a molecular weight of 316.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 44997744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).