N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide

C12H22ClNO — CID 104555692

IUPACN-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCC(CCl)N(C)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H22ClNO/c1-8(7-13)14(6)10(15)9-11(2,3)12(9,4)5/h8-9H,7H2,1-6H3
InChIKeyNTXBKIKZIKGUFW-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.75
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide

N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide (PubChem CID 104555692) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
PubChem CID104555692
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
SMILESCC(CCl)N(C)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H22ClNO/c1-8(7-13)14(6)10(15)9-11(2,3)12(9,4)5/h8-9H,7H2,1-6H3
InChIKeyNTXBKIKZIKGUFW-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(1-chloropropan-2-yl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 104555904
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
CID 104555861
N-(1-chloropropan-2-yl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107184308
N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865
N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 104555749
N-(1-chloropropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104555649
3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66476263
2-(1-adamantyl)-N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555837
N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
CID 104555656

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide (CID 104555692) is N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide is CC(CCl)N(C)C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
The InChIKey is NTXBKIKZIKGUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-8(7-13)14(6)10(15)9-11(2,3)12(9,4)5/h8-9H,7H2,1-6H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide?
N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide has a molecular weight of 231.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide is sourced from PubChem (CID 104555692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).