3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide

C19H15N3O5 — CID 9314825

IUPAC3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide
SMILESCOc1cc2ccccc2cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5/c1-27-17-11-14-5-3-2-4-13(14)10-16(17)19(24)21-20-18(23)12-6-8-15(9-7-12)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyUVJQHPVHQBXMGY-UHFFFAOYSA-N
MW365.35 g/mol
LogP2.83
Rot. Bonds4

About 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide

3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide (PubChem CID 9314825) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide
PubChem CID9314825
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide
SMILESCOc1cc2ccccc2cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O5/c1-27-17-11-14-5-3-2-4-13(14)10-16(17)19(24)21-20-18(23)12-6-8-15(9-7-12)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyUVJQHPVHQBXMGY-UHFFFAOYSA-N
XLogP2.83
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126001886
3-ethoxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 24585783
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
N'-(2-bromobenzoyl)-3-methoxynaphthalene-2-carbohydrazide
CID 2712122
N'-[2-(2,4-dimethoxyphenyl)acetyl]-4-nitrobenzohydrazide
CID 9401565
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
3-methoxy-N-(4-methoxy-2-nitrophenyl)naphthalene-2-carboxamide
CID 3539530
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate
CID 7702979

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide?
The IUPAC name of 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide (CID 9314825) is 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide.
What is the SMILES notation for 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide?
The canonical SMILES for 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide is COc1cc2ccccc2cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide?
The InChIKey is UVJQHPVHQBXMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-27-17-11-14-5-3-2-4-13(14)10-16(17)19(24)21-20-18(23)12-6-8-15(9-7-12)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide?
3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide has a molecular weight of 365.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(4-nitrobenzoyl)naphthalene-2-carbohydrazide is sourced from PubChem (CID 9314825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).