N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide

C28H20N2O4 — CID 56977411

IUPACN-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(O)c1ccc(N(O)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H20N2O4/c31-27(25-13-5-9-19-7-1-3-11-23(19)25)29(33)21-15-17-22(18-16-21)30(34)28(32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,33-34H
InChIKeyDJQBWAVREVFSKI-UHFFFAOYSA-N
MW448.48 g/mol
LogP6.07
Rot. Bonds4

About N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide

N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide (PubChem CID 56977411) has the molecular formula C28H20N2O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide
PubChem CID56977411
Molecular FormulaC28H20N2O4
Molecular Weight448.48 g/mol
Exact Mass448.14
IUPAC NameN-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(O)c1ccc(N(O)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H20N2O4/c31-27(25-13-5-9-19-7-1-3-11-23(19)25)29(33)21-15-17-22(18-16-21)30(34)28(32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,33-34H
InChIKeyDJQBWAVREVFSKI-UHFFFAOYSA-N
XLogP6.07
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide (CID 56977411) is N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide is O=C(c1cccc2ccccc12)N(O)c1ccc(N(O)C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide?
The InChIKey is DJQBWAVREVFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O4/c31-27(25-13-5-9-19-7-1-3-11-23(19)25)29(33)21-15-17-22(18-16-21)30(34)28(32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,33-34H.
What are the key properties of N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide?
N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 56977411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).