N-tert-butyl-2-chloro-2-cyclopropylacetamide

C9H16ClNO — CID 62224068

IUPACN-tert-butyl-2-chloro-2-cyclopropylacetamide
SMILESCC(C)(C)NC(=O)C(Cl)C1CC1
InChIInChI=1S/C9H16ClNO/c1-9(2,3)11-8(12)7(10)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyRXEZNWOKKXWZBP-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.92
Rot. Bonds2

About N-tert-butyl-2-chloro-2-cyclopropylacetamide

N-tert-butyl-2-chloro-2-cyclopropylacetamide (PubChem CID 62224068) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-2-cyclopropylacetamide
PubChem CID62224068
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-tert-butyl-2-chloro-2-cyclopropylacetamide
SMILESCC(C)(C)NC(=O)C(Cl)C1CC1
InChIInChI=1S/C9H16ClNO/c1-9(2,3)11-8(12)7(10)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyRXEZNWOKKXWZBP-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-2-cyclopropylacetamide?
The IUPAC name of N-tert-butyl-2-chloro-2-cyclopropylacetamide (CID 62224068) is N-tert-butyl-2-chloro-2-cyclopropylacetamide.
What is the SMILES notation for N-tert-butyl-2-chloro-2-cyclopropylacetamide?
The canonical SMILES for N-tert-butyl-2-chloro-2-cyclopropylacetamide is CC(C)(C)NC(=O)C(Cl)C1CC1.
What is the InChIKey of N-tert-butyl-2-chloro-2-cyclopropylacetamide?
The InChIKey is RXEZNWOKKXWZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(2,3)11-8(12)7(10)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-2-chloro-2-cyclopropylacetamide?
N-tert-butyl-2-chloro-2-cyclopropylacetamide has a molecular weight of 189.69 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-2-cyclopropylacetamide is sourced from PubChem (CID 62224068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).