N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide

C19H14N4O7 — CID 3267740

IUPACN'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
SMILESO=C(COc1cccc2ccccc12)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O7/c24-18(11-30-17-7-3-5-12-4-1-2-6-16(12)17)20-21-19(25)13-8-14(22(26)27)10-15(9-13)23(28)29/h1-10H,11H2,(H,20,24)(H,21,25)
InChIKeyPQWDBUUKVSPMGP-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.50
Rot. Bonds6

About N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide

N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide (PubChem CID 3267740) has the molecular formula C19H14N4O7 and a molecular weight of 410.34 g/mol. Its IUPAC name is N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
PubChem CID3267740
Molecular FormulaC19H14N4O7
Molecular Weight410.34 g/mol
Exact Mass410.09
IUPAC NameN'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide
SMILESO=C(COc1cccc2ccccc12)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C19H14N4O7/c24-18(11-30-17-7-3-5-12-4-1-2-6-16(12)17)20-21-19(25)13-8-14(22(26)27)10-15(9-13)23(28)29/h1-10H,11H2,(H,20,24)(H,21,25)
InChIKeyPQWDBUUKVSPMGP-UHFFFAOYSA-N
XLogP2.50
TPSA153.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-fluorophenoxy)acetyl]-3-nitrobenzohydrazide
CID 7434007
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
N'-[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]-3,5-dinitrobenzohydrazide
CID 3355476
N-[4-[[(2-naphthalen-1-yloxyacetyl)amino]carbamoyl]phenyl]benzamide
CID 3297600
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
N'-(2-naphthalen-1-yloxyacetyl)-4-propoxybenzohydrazide
CID 4938673
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dinitrobenzohydrazide
CID 4922335
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3390983
N'-[2-(3-hydroxyphenyl)acetyl]-3,5-dinitrobenzohydrazide
CID 59421966
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide?
The IUPAC name of N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide (CID 3267740) is N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide?
The canonical SMILES for N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide is O=C(COc1cccc2ccccc12)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide?
The InChIKey is PQWDBUUKVSPMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O7/c24-18(11-30-17-7-3-5-12-4-1-2-6-16(12)17)20-21-19(25)13-8-14(22(26)27)10-15(9-13)23(28)29/h1-10H,11H2,(H,20,24)(H,21,25).
What are the key properties of N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide?
N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide has a molecular weight of 410.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-1-yloxyacetyl)-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 3267740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).