N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide

C10H17Cl2NO — CID 6929509

IUPACN-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-9(2,3)8(14)13-5-4-7-6-10(7,11)12/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyBUTNBGSCYPAOMS-ZETCQYMHSA-N
MW238.16 g/mol
LogP2.73
Rot. Bonds3

About N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide

N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide (PubChem CID 6929509) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide
PubChem CID6929509
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC NameN-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC[C@H]1CC1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-9(2,3)8(14)13-5-4-7-6-10(7,11)12/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyBUTNBGSCYPAOMS-ZETCQYMHSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide (CID 6929509) is N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC[C@H]1CC1(Cl)Cl.
What is the InChIKey of N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is BUTNBGSCYPAOMS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-9(2,3)8(14)13-5-4-7-6-10(7,11)12/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide?
N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 238.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 6929509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).