[N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate

C28H19NO3 — CID 86093382

IUPAC[N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate
SMILESO=C(ON(C(=O)c1cccc2ccccc12)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H19NO3/c30-27(25-18-8-12-20-10-4-6-16-23(20)25)29(22-14-2-1-3-15-22)32-28(31)26-19-9-13-21-11-5-7-17-24(21)26/h1-19H
InChIKeyNBNMOSUMBYCLLW-UHFFFAOYSA-N
MW417.46 g/mol
LogP6.41
Rot. Bonds3

About [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate

[N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate (PubChem CID 86093382) has the molecular formula C28H19NO3 and a molecular weight of 417.46 g/mol. Its IUPAC name is [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate
PubChem CID86093382
Molecular FormulaC28H19NO3
Molecular Weight417.46 g/mol
Exact Mass417.14
IUPAC Name[N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate
SMILESO=C(ON(C(=O)c1cccc2ccccc12)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H19NO3/c30-27(25-18-8-12-20-10-4-6-16-23(20)25)29(22-14-2-1-3-15-22)32-28(31)26-19-9-13-21-11-5-7-17-24(21)26/h1-19H
InChIKeyNBNMOSUMBYCLLW-UHFFFAOYSA-N
XLogP6.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-fluoro-N-phenylnaphthalene-1-carboxamide
CID 90862687
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide
CID 56977411
bromo naphthalene-1-carboxylate
CID 68796403
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033

Frequently Asked Questions

What is the IUPAC name of [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate?
The IUPAC name of [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate (CID 86093382) is [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate.
What is the SMILES notation for [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate?
The canonical SMILES for [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate is O=C(ON(C(=O)c1cccc2ccccc12)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate?
The InChIKey is NBNMOSUMBYCLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NO3/c30-27(25-18-8-12-20-10-4-6-16-23(20)25)29(22-14-2-1-3-15-22)32-28(31)26-19-9-13-21-11-5-7-17-24(21)26/h1-19H.
What are the key properties of [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate?
[N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate has a molecular weight of 417.46 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [N-(naphthalene-1-carbonyl)anilino] naphthalene-1-carboxylate is sourced from PubChem (CID 86093382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).