N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C15H28ClNO — CID 106355698

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H28ClNO/c1-13(2,3)10(8-9-16)17-12(18)11-14(4,5)15(11,6)7/h10-11H,8-9H2,1-7H3,(H,17,18)
InChIKeyJIFYCEDGXSANRS-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.83
Rot. Bonds4

About N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 106355698) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID106355698
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C15H28ClNO/c1-13(2,3)10(8-9-16)17-12(18)11-14(4,5)15(11,6)7/h10-11H,8-9H2,1-7H3,(H,17,18)
InChIKeyJIFYCEDGXSANRS-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.83
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-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106355594
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 114177886
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-3-carboxamide
CID 106355862
N-(1-chloro-4,4-dimethylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106355533
N-(1-chloro-4,4-dimethylpentan-3-yl)thiolane-2-carboxamide
CID 106355814
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide
CID 106355550
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
N-(1-chloro-4,4-dimethylpentan-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 106355848
2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 114177852
4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 106355819
N-(1-chloro-4,4-dimethylpentan-3-yl)furan-2-carboxamide
CID 106355752

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 106355698) is N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC(C)(C)C(CCCl)NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is JIFYCEDGXSANRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-13(2,3)10(8-9-16)17-12(18)11-14(4,5)15(11,6)7/h10-11H,8-9H2,1-7H3,(H,17,18).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 273.85 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 106355698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).