N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide

C20H18N2O4 — CID 21412866

IUPACN'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C20H18N2O4/c1-25-16-9-10-17(18(12-16)26-2)20(24)22-21-19(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDTBOIFUHPOZCEC-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.93
Rot. Bonds4

About N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide

N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide (PubChem CID 21412866) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide
PubChem CID21412866
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c(OC)c1
InChIInChI=1S/C20H18N2O4/c1-25-16-9-10-17(18(12-16)26-2)20(24)22-21-19(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDTBOIFUHPOZCEC-UHFFFAOYSA-N
XLogP2.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
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 N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide?
The IUPAC name of N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide (CID 21412866) is N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide.
What is the SMILES notation for N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide?
The canonical SMILES for N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide?
The InChIKey is DTBOIFUHPOZCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-16-9-10-17(18(12-16)26-2)20(24)22-21-19(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide?
N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide has a molecular weight of 350.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxybenzoyl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 21412866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).