N-(chlorocarbamoyl)-2,2-dimethylpropanamide

C6H11ClN2O2 — CID 130011017

IUPACN-(chlorocarbamoyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=O)NCl
InChIInChI=1S/C6H11ClN2O2/c1-6(2,3)4(10)8-5(11)9-7/h1-3H3,(H2,8,9,10,11)
InChIKeyPOAYVPQUXRPIPS-UHFFFAOYSA-N
MW178.62 g/mol
LogP1.01
Rot. Bonds

About N-(chlorocarbamoyl)-2,2-dimethylpropanamide

N-(chlorocarbamoyl)-2,2-dimethylpropanamide (PubChem CID 130011017) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is N-(chlorocarbamoyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(chlorocarbamoyl)-2,2-dimethylpropanamide
PubChem CID130011017
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC NameN-(chlorocarbamoyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(=O)NCl
InChIInChI=1S/C6H11ClN2O2/c1-6(2,3)4(10)8-5(11)9-7/h1-3H3,(H2,8,9,10,11)
InChIKeyPOAYVPQUXRPIPS-UHFFFAOYSA-N
XLogP1.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(chlorocarbamoyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(chlorocarbamoyl)-2,2-dimethylpropanamide (CID 130011017) is N-(chlorocarbamoyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(chlorocarbamoyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(chlorocarbamoyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(=O)NCl.
What is the InChIKey of N-(chlorocarbamoyl)-2,2-dimethylpropanamide?
The InChIKey is POAYVPQUXRPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2O2/c1-6(2,3)4(10)8-5(11)9-7/h1-3H3,(H2,8,9,10,11).
What are the key properties of N-(chlorocarbamoyl)-2,2-dimethylpropanamide?
N-(chlorocarbamoyl)-2,2-dimethylpropanamide has a molecular weight of 178.62 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chlorocarbamoyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 130011017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).