2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide

C20H19N3O3 — CID 163236401

IUPAC2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NNC(C)c1cccc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-13-10-11-16(23(25)26)12-19(13)20(24)22-21-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14,21H,1-2H3,(H,22,24)
InChIKeyDVRANMCGIYPUCX-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.05
Rot. Bonds5

About 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide

2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide (PubChem CID 163236401) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide
PubChem CID163236401
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NNC(C)c1cccc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-13-10-11-16(23(25)26)12-19(13)20(24)22-21-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14,21H,1-2H3,(H,22,24)
InChIKeyDVRANMCGIYPUCX-UHFFFAOYSA-N
XLogP4.05
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methyl-N-[(1R)-1-naphthalen-2-ylethyl]-5-nitrobenzamide
CID 46178562
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
2-chloro-N-[3-methyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-yl]-4-nitrobenzamide
CID 112765745
N-(2-chloropropyl)-2-methyl-5-nitrobenzamide
CID 114296579
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-5-nitrobenzamide
CID 86852927
N-(2-aminopropyl)-2-methyl-5-nitrobenzamide
CID 63732523
N-(4-bromopentyl)-2-methyl-5-nitrobenzamide
CID 106130549
2-[(2-methyl-5-nitrobenzoyl)amino]propanoic acid
CID 61292265
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-nitrobenzamide;hydrochloride
CID 120509207
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 24636355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide?
The IUPAC name of 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide (CID 163236401) is 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide.
What is the SMILES notation for 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide?
The canonical SMILES for 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide is Cc1ccc([N+](=O)[O-])cc1C(=O)NNC(C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide?
The InChIKey is DVRANMCGIYPUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-10-11-16(23(25)26)12-19(13)20(24)22-21-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14,21H,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide?
2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide has a molecular weight of 349.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(1-naphthalen-1-ylethyl)-5-nitrobenzohydrazide is sourced from PubChem (CID 163236401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).