1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide

C19H16N2O4 — CID 774191

IUPAC1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H16N2O4/c1-25-14-9-6-13(7-10-14)18(23)20-21-19(24)16-11-8-12-4-2-3-5-15(12)17(16)22/h2-11,22H,1H3,(H,20,23)(H,21,24)
InChIKeyDDJUACIDSNNEBS-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.63
Rot. Bonds3

About 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide

1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide (PubChem CID 774191) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
PubChem CID774191
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H16N2O4/c1-25-14-9-6-13(7-10-14)18(23)20-21-19(24)16-11-8-12-4-2-3-5-15(12)17(16)22/h2-11,22H,1H3,(H,20,23)(H,21,24)
InChIKeyDDJUACIDSNNEBS-UHFFFAOYSA-N
XLogP2.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide?
The IUPAC name of 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide (CID 774191) is 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide.
What is the SMILES notation for 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide?
The canonical SMILES for 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide?
The InChIKey is DDJUACIDSNNEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-14-9-6-13(7-10-14)18(23)20-21-19(24)16-11-8-12-4-2-3-5-15(12)17(16)22/h2-11,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide?
1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide has a molecular weight of 336.35 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 774191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).