N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H23Cl2NO — CID 107867488

IUPACN-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(CCl)(CCl)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H23Cl2NO/c1-6-13(7-14,8-15)16-10(17)9-11(2,3)12(9,4)5/h9H,6-8H2,1-5H3,(H,16,17)
InChIKeyPELMNOOIAZVQBL-UHFFFAOYSA-N
MW280.24 g/mol
LogP3.41
Rot. Bonds5

About N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 107867488) has the molecular formula C13H23Cl2NO and a molecular weight of 280.24 g/mol. Its IUPAC name is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID107867488
Molecular FormulaC13H23Cl2NO
Molecular Weight280.24 g/mol
Exact Mass279.12
IUPAC NameN-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCC(CCl)(CCl)NC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C13H23Cl2NO/c1-6-13(7-14,8-15)16-10(17)9-11(2,3)12(9,4)5/h9H,6-8H2,1-5H3,(H,16,17)
InChIKeyPELMNOOIAZVQBL-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 53.41
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-tert-butyl-2-chloro-3-methylpentanamide
CID 62224066
N-tert-butyl-2,2-dichloro-3,3-dimethylcyclopropane-1-carboxamide
CID 21417880
N-tert-butyl-4,6,6,6-tetrachloro-3,3-dimethylhexanamide
CID 57125876
5-chloro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 43701300
N-tert-butyl-2-chloro-2-cyclopropylacetamide
CID 62224068
N-tert-butyl-2-chloro-3-ethylpentanamide
CID 62224069
N-tert-butyl-2-chloro-4-methylpentanamide
CID 62224969
N-tert-butyl-2-chloro-4,4-dimethylpentanamide
CID 62966362
2,2-dichloro-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 78843547
5-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358726
N-(1,3-dichloro-2-methylpropan-2-yl)-3,4,4-trimethylpentanamide
CID 81965977
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 81966135

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 107867488) is N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CCC(CCl)(CCl)NC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is PELMNOOIAZVQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2NO/c1-6-13(7-14,8-15)16-10(17)9-11(2,3)12(9,4)5/h9H,6-8H2,1-5H3,(H,16,17).
What are the key properties of N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 280.24 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107867488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).