N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide

C7H14ClN3O2 — CID 118374905

IUPACN'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CCNCl
InChIInChI=1S/C7H14ClN3O2/c1-5(2)7(13)11-10-6(12)3-4-9-8/h5,9H,3-4H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCSRLHGHFDWKPCY-UHFFFAOYSA-N
MW207.66 g/mol
LogP-0.08
Rot. Bonds4

About N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide

N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide (PubChem CID 118374905) has the molecular formula C7H14ClN3O2 and a molecular weight of 207.66 g/mol. Its IUPAC name is N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide
PubChem CID118374905
Molecular FormulaC7H14ClN3O2
Molecular Weight207.66 g/mol
Exact Mass207.08
IUPAC NameN'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNC(=O)CCNCl
InChIInChI=1S/C7H14ClN3O2/c1-5(2)7(13)11-10-6(12)3-4-9-8/h5,9H,3-4H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyCSRLHGHFDWKPCY-UHFFFAOYSA-N
XLogP-0.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide (CID 118374905) is N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide is CC(C)C(=O)NNC(=O)CCNCl.
What is the InChIKey of N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide?
The InChIKey is CSRLHGHFDWKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClN3O2/c1-5(2)7(13)11-10-6(12)3-4-9-8/h5,9H,3-4H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide?
N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide has a molecular weight of 207.66 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(chloroamino)propanoyl]-2-methylpropanehydrazide is sourced from PubChem (CID 118374905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).