1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide

C20H16N2O6 — CID 167363578

IUPAC1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1cc(Oc2ccccc2)c(C(=O)NO)cc1Oc1ccccc1
InChIInChI=1S/C20H16N2O6/c23-19(21-25)15-12-18(28-14-9-5-2-6-10-14)16(20(24)22-26)11-17(15)27-13-7-3-1-4-8-13/h1-12,25-26H,(H,21,23)(H,22,24)
InChIKeyCXPSJEKQSBPUNU-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.51
Rot. Bonds6

About 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide

1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide (PubChem CID 167363578) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
PubChem CID167363578
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide
SMILESO=C(NO)c1cc(Oc2ccccc2)c(C(=O)NO)cc1Oc1ccccc1
InChIInChI=1S/C20H16N2O6/c23-19(21-25)15-12-18(28-14-9-5-2-6-10-14)16(20(24)22-26)11-17(15)27-13-7-3-1-4-8-13/h1-12,25-26H,(H,21,23)(H,22,24)
InChIKeyCXPSJEKQSBPUNU-UHFFFAOYSA-N
XLogP3.51
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-phenoxybenzene-1,4-dicarboxylate
CID 23436153
2-phenoxy-N-phenylbenzamide
CID 3402306
2-phenoxy-4-phenylbenzoic acid
CID 139966972
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438
2-(hydroxycarbamoyl)-5-phenoxycarbonylbenzoic acid
CID 141047416
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
(4-iodo-2-phenoxyphenyl)-phenylmethanone
CID 67055516
5-bromo-2-hydroxy-N-(2-phenoxyphenyl)benzamide
CID 20604832
2-bromo-4-fluoro-N-(2-phenoxyphenyl)benzamide
CID 55386883
N-benzhydryl-2-phenoxybenzamide
CID 3401619
2,5-diphenoxybenzene-1,4-diamine
CID 139696987
phenyl 2-phenoxybenzoate
CID 2471273

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide (CID 167363578) is 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide is O=C(NO)c1cc(Oc2ccccc2)c(C(=O)NO)cc1Oc1ccccc1.
What is the InChIKey of 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide?
The InChIKey is CXPSJEKQSBPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c23-19(21-25)15-12-18(28-14-9-5-2-6-10-14)16(20(24)22-26)11-17(15)27-13-7-3-1-4-8-13/h1-12,25-26H,(H,21,23)(H,22,24).
What are the key properties of 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide?
1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide has a molecular weight of 380.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dihydroxy-2,5-diphenoxybenzene-1,4-dicarboxamide is sourced from PubChem (CID 167363578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).