N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide

C10H14N2O — CID 172741610

IUPACN'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide
SMILES[2H]C([2H])([2H])C([2H])(NNC(=O)c1ccccc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H14N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)/i1D3,2D3,8D
InChIKeyJEDFDJQCNTWWDS-UNAVHCQLSA-N
MW185.28 g/mol
LogP1.33
Rot. Bonds5

About N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide

N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide (PubChem CID 172741610) has the molecular formula C10H14N2O and a molecular weight of 185.28 g/mol. Its IUPAC name is N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide
PubChem CID172741610
Molecular FormulaC10H14N2O
Molecular Weight185.28 g/mol
Exact Mass185.15
IUPAC NameN'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide
SMILES[2H]C([2H])([2H])C([2H])(NNC(=O)c1ccccc1)C([2H])([2H])[2H]
InChIInChI=1S/C10H14N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)/i1D3,2D3,8D
InChIKeyJEDFDJQCNTWWDS-UNAVHCQLSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-(2-benzoylhydrazinyl)propanoate
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N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
CID 176730302
N'-[(1S)-1,2-diphenylethyl]benzohydrazide
CID 14923144
N-(trideuteriomethoxy)benzamide
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N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
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Frequently Asked Questions

What is the IUPAC name of N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide?
The IUPAC name of N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide (CID 172741610) is N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide.
What is the SMILES notation for N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide?
The canonical SMILES for N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide is [2H]C([2H])([2H])C([2H])(NNC(=O)c1ccccc1)C([2H])([2H])[2H].
What is the InChIKey of N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide?
The InChIKey is JEDFDJQCNTWWDS-UNAVHCQLSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-8,11H,1-2H3,(H,12,13)/i1D3,2D3,8D.
What are the key properties of N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide?
N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide has a molecular weight of 185.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)benzohydrazide is sourced from PubChem (CID 172741610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).