N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide

C11H18ClNO — CID 107003299

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C11H18ClNO/c1-10(2)5-8(10)9(14)13-7-11(6-12)3-4-11/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyXDYXIYVNGMDVOB-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.17
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107003299) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107003299
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C11H18ClNO/c1-10(2)5-8(10)9(14)13-7-11(6-12)3-4-11/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyXDYXIYVNGMDVOB-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dichloro-N-[1-(2,2-dichlorocyclopropyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 76323352
(1S)-2,2-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)cyclopropane-1-carboxamide
CID 164640590
N-[4-(2-chloro-2-fluorocyclopropyl)butyl]-1-methylcyclopropane-1-carboxamide
CID 178258197
Valeramide, 5-chloro-N-(3-methylbutyl)-
CID 28733512
N-butyl-2,2-dichloro-1-ethyl-3-methylcyclopropane-1-carboxamide
CID 58741319
2,2-dichloro-1,3-dimethyl-N-pentan-2-ylcyclopropane-1-carboxamide
CID 59109316
N-butyl-2,2-dichloro-1,3-dimethylcyclopropane-1-carboxamide
CID 59109322
2-chloro-N-ethyl-1,2-dimethylcyclopropane-1-carboxamide
CID 59146533
N-(2-tert-butylcyclopropyl)-2-cyclopropylacetamide
CID 134194770
(2S)-N-[(1R)-1-chloro-2,2-dimethylpropyl]-2,4-dimethylpentanamide
CID 141963113
N-butyl-2-(chloromethyl)-2-methylhexanamide
CID 142635332
2-(chloromethyl)-N-ethylcyclopropane-1-carboxamide
CID 144297863

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107003299) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is XDYXIYVNGMDVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-10(2)5-8(10)9(14)13-7-11(6-12)3-4-11/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 215.72 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107003299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).