N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide

C10H17Cl2NO — CID 10847506

IUPACN-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(C)CC1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-8(2,3)7(14)13-6-9(4)5-10(9,11)12/h5-6H2,1-4H3,(H,13,14)
InChIKeyUNJJJHRXURMCKJ-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.73
Rot. Bonds2

About N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide

N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide (PubChem CID 10847506) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide
PubChem CID10847506
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC NameN-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC1(C)CC1(Cl)Cl
InChIInChI=1S/C10H17Cl2NO/c1-8(2,3)7(14)13-6-9(4)5-10(9,11)12/h5-6H2,1-4H3,(H,13,14)
InChIKeyUNJJJHRXURMCKJ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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'}

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Related Compounds

N-[2-(2,2-dichlorocyclopropyl)ethyl]-2,2-dimethylpropanamide
CID 2805887
2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 45840375
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951
(1R)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 51969477
(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 51969478
2,2-dichloro-N-cyclopropyl-1-methylcyclopropane-1-carboxamide
CID 78785037
2,2-dichloro-N-(cyclopropylmethyl)-1-methylcyclopropane-1-carboxamide
CID 86921284
2,2-Dichloro-1-methyl-cyclopropanecarboxylic-acid ethylamide
CID 44138896
2,2-dimethyl-N-[(1-methylcyclopropyl)methyl]propanamide
CID 103722094
N-[(2,2-dichlorocyclopropyl)methyl]-2-methylpropanamide
CID 123355410
N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide
CID 150601461
N-[2-[(1S)-2,2-dichlorocyclopropyl]ethyl]-2,2-dimethylpropanamide
CID 6929509

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide (CID 10847506) is N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC1(C)CC1(Cl)Cl.
What is the InChIKey of N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide?
The InChIKey is UNJJJHRXURMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-8(2,3)7(14)13-6-9(4)5-10(9,11)12/h5-6H2,1-4H3,(H,13,14).
What are the key properties of N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide?
N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide has a molecular weight of 238.16 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dichloro-1-methylcyclopropyl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 10847506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).