N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide

C15H15N3O5 — CID 89245814

IUPACN-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C15H15N3O5/c19-13-3-1-2-10(8-13)9-14(20)16-17-15(21)11-4-6-12(7-5-11)18(22)23/h1-8,18-19,22H,9H2,(H,16,20)(H,17,21)
InChIKeyCAVNVOMRDUMYEF-UHFFFAOYSA-N
MW317.30 g/mol
LogP-0.20
Rot. Bonds4

About N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide

N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide (PubChem CID 89245814) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide
PubChem CID89245814
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC NameN-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide
SMILESO=C(Cc1cccc(O)c1)NNC(=O)c1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C15H15N3O5/c19-13-3-1-2-10(8-13)9-14(20)16-17-15(21)11-4-6-12(7-5-11)18(22)23/h1-8,18-19,22H,9H2,(H,16,20)(H,17,21)
InChIKeyCAVNVOMRDUMYEF-UHFFFAOYSA-N
XLogP-0.20
TPSA126.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
CID 59421966
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
2-fluoro-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422019
N'-[2-(3-fluorophenyl)acetyl]benzohydrazide
CID 9414915
N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
CID 17457296
4-hydroxy-N'-[2-(3-hydroxyphenyl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 59422031
4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197
2-chloro-N'-[2-(3-hydroxyphenyl)acetyl]-4,5-dimethoxybenzohydrazide
CID 59421984
N'-(2-chloroacetyl)-3-hydroxybenzohydrazide
CID 166407635

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide?
The IUPAC name of N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide (CID 89245814) is N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide is O=C(Cc1cccc(O)c1)NNC(=O)c1ccc([NH+]([O-])O)cc1.
What is the InChIKey of N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide?
The InChIKey is CAVNVOMRDUMYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c19-13-3-1-2-10(8-13)9-14(20)16-17-15(21)11-4-6-12(7-5-11)18(22)23/h1-8,18-19,22H,9H2,(H,16,20)(H,17,21).
What are the key properties of N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide?
N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide has a molecular weight of 317.30 g/mol, XLogP of -0.20, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzeneamine oxide is sourced from PubChem (CID 89245814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).