2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide

C19H16N2O3 — CID 25256224

IUPAC2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
SMILESNC(=O)c1ccc2cc(C(=O)N(O)Cc3ccccc3)ccc2c1
InChIInChI=1S/C19H16N2O3/c20-18(22)16-8-6-15-11-17(9-7-14(15)10-16)19(23)21(24)12-13-4-2-1-3-5-13/h1-11,24H,12H2,(H2,20,22)
InChIKeyQKJISSMYUUZSPQ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.97
Rot. Bonds4

About 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide

2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide (PubChem CID 25256224) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
PubChem CID25256224
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
SMILESNC(=O)c1ccc2cc(C(=O)N(O)Cc3ccccc3)ccc2c1
InChIInChI=1S/C19H16N2O3/c20-18(22)16-8-6-15-11-17(9-7-14(15)10-16)19(23)21(24)12-13-4-2-1-3-5-13/h1-11,24H,12H2,(H2,20,22)
InChIKeyQKJISSMYUUZSPQ-UHFFFAOYSA-N
XLogP2.97
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-N-[(3,5-difluorophenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 87529553
2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256226
1-N,4-N-dibenzyl-1-N,4-N-dihydroxybenzene-1,4-dicarboxamide
CID 20615921
3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 87467946
2-N-hydroxy-2-N-(2-methylbutyl)naphthalene-2,6-dicarboxamide
CID 87529599
tetracene-2-carboxamide;hydrobromide
CID 22400124
2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
CID 101420870
3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 87469042
4-amino-3-[benzyl(cyclopropyl)amino]benzamide
CID 63356232
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]naphthalene-2-carboxamide
CID 71892511

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide?
The IUPAC name of 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide (CID 25256224) is 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide?
The canonical SMILES for 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide is NC(=O)c1ccc2cc(C(=O)N(O)Cc3ccccc3)ccc2c1.
What is the InChIKey of 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide?
The InChIKey is QKJISSMYUUZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c20-18(22)16-8-6-15-11-17(9-7-14(15)10-16)19(23)21(24)12-13-4-2-1-3-5-13/h1-11,24H,12H2,(H2,20,22).
What are the key properties of 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide?
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide is sourced from PubChem (CID 25256224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).