3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide

C9H16ClNO2 — CID 63296375

IUPAC3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC(O)C1CC1
InChIInChI=1S/C9H16ClNO2/c1-6(4-10)9(13)11-5-8(12)7-2-3-7/h6-8,12H,2-5H2,1H3,(H,11,13)
InChIKeyFRIFUCQCTGPDCK-UHFFFAOYSA-N
MW205.68 g/mol
LogP0.75
Rot. Bonds5

About 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide

3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide (PubChem CID 63296375) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
PubChem CID63296375
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
SMILESCC(CCl)C(=O)NCC(O)C1CC1
InChIInChI=1S/C9H16ClNO2/c1-6(4-10)9(13)11-5-8(12)7-2-3-7/h6-8,12H,2-5H2,1H3,(H,11,13)
InChIKeyFRIFUCQCTGPDCK-UHFFFAOYSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide (CID 63296375) is 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide is CC(CCl)C(=O)NCC(O)C1CC1.
What is the InChIKey of 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is FRIFUCQCTGPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-6(4-10)9(13)11-5-8(12)7-2-3-7/h6-8,12H,2-5H2,1H3,(H,11,13).
What are the key properties of 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide?
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 205.68 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 63296375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).