2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide

C10H16ClNO2 — CID 130164935

IUPAC2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCC1CC2CCC1O2
InChIInChI=1S/C10H16ClNO2/c1-6(11)10(13)12-5-7-4-8-2-3-9(7)14-8/h6-9H,2-5H2,1H3,(H,12,13)
InChIKeyMAORKLITEQKUEB-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.30
Rot. Bonds3

About 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide

2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide (PubChem CID 130164935) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
PubChem CID130164935
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
SMILESCC(Cl)C(=O)NCC1CC2CCC1O2
InChIInChI=1S/C10H16ClNO2/c1-6(11)10(13)12-5-7-4-8-2-3-9(7)14-8/h6-9H,2-5H2,1H3,(H,12,13)
InChIKeyMAORKLITEQKUEB-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butanamide
CID 114267337
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
2-bromo-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130505200
(2S)-N-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 98847708
3-bromo-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)prop-2-ynamide
CID 130618601
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
3,3-dimethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-5-oxopentanoic acid
CID 113235529
2-chloro-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64929109
2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113235526
4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pentan-2-amine
CID 115720038
methyl 2-[(1R,2R)-7-oxabicyclo[2.2.1]heptan-2-yl]acetate
CID 130359597
2-(7-oxabicyclo[2.2.1]heptan-2-yl)ethyl 2-methylpropanoate
CID 129037323

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
The IUPAC name of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide (CID 130164935) is 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
The canonical SMILES for 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide is CC(Cl)C(=O)NCC1CC2CCC1O2.
What is the InChIKey of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
The InChIKey is MAORKLITEQKUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-6(11)10(13)12-5-7-4-8-2-3-9(7)14-8/h6-9H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide?
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide has a molecular weight of 217.70 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide is sourced from PubChem (CID 130164935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).