N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide

C19H14N2O6 — CID 70868013

IUPACN-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O6/c22-16-10-5-12(11-17(16)23)20-19(24)15-3-1-2-4-18(15)27-14-8-6-13(7-9-14)21(25)26/h1-11,22-23H,(H,20,24)
InChIKeyKPMGCHNYHXITTL-UHFFFAOYSA-N
MW366.33 g/mol
LogP4.05
Rot. Bonds5

About N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide

N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide (PubChem CID 70868013) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide
PubChem CID70868013
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC NameN-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O6/c22-16-10-5-12(11-17(16)23)20-19(24)15-3-1-2-4-18(15)27-14-8-6-13(7-9-14)21(25)26/h1-11,22-23H,(H,20,24)
InChIKeyKPMGCHNYHXITTL-UHFFFAOYSA-N
XLogP4.05
TPSA121.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
2-(4-nitrophenoxy)benzoic acid
CID 139059188
N-(2-methyl-3-pyridinyl)-2-(4-nitrophenoxy)benzamide
CID 70867966
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
[4-[(2-methoxybenzoyl)amino]phenyl] 4-nitrobenzoate
CID 26190244
N,N-dimethyl-2-(4-nitrophenoxy)benzamide
CID 70538094
2-phenoxy-N-phenylbenzamide
CID 3402306
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
N-(3,4-difluorophenyl)-2-phenoxybenzamide
CID 3402318
2-hydroxy-4-nitro-N-(4-nitrophenyl)benzamide
CID 18931505

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide?
The IUPAC name of N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide (CID 70868013) is N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide.
What is the SMILES notation for N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide?
The canonical SMILES for N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide is O=C(Nc1ccc(O)c(O)c1)c1ccccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide?
The InChIKey is KPMGCHNYHXITTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O6/c22-16-10-5-12(11-17(16)23)20-19(24)15-3-1-2-4-18(15)27-14-8-6-13(7-9-14)21(25)26/h1-11,22-23H,(H,20,24).
What are the key properties of N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide?
N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide has a molecular weight of 366.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 70868013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).