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

C10H15ClN2O3 — CID 80719423

IUPAC3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H15ClN2O3/c11-4-3-9(14)13-10(15)12-7-5-6-1-2-8(7)16-6/h6-8H,1-5H2,(H2,12,13,14,15)
InChIKeyRRMQIGLJPPFJJW-UHFFFAOYSA-N
MW246.69 g/mol
LogP0.76
Rot. Bonds3

About 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide

3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide (PubChem CID 80719423) has the molecular formula C10H15ClN2O3 and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide
PubChem CID80719423
Molecular FormulaC10H15ClN2O3
Molecular Weight246.69 g/mol
Exact Mass246.08
IUPAC Name3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H15ClN2O3/c11-4-3-9(14)13-10(15)12-7-5-6-1-2-8(7)16-6/h6-8H,1-5H2,(H2,12,13,14,15)
InChIKeyRRMQIGLJPPFJJW-UHFFFAOYSA-N
XLogP0.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)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

3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-oxopentanamide
CID 80602124
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 107828477
1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 80720753
(2S)-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80719419
(2R)-4-amino-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107828479
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pentanamide;hydrochloride
CID 120562894
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80720622
2-chloro-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131155558
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide?
The IUPAC name of 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide (CID 80719423) is 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide.
What is the SMILES notation for 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide?
The canonical SMILES for 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide is O=C(CCCl)NC(=O)NC1CC2CCC1O2.
What is the InChIKey of 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide?
The InChIKey is RRMQIGLJPPFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3/c11-4-3-9(14)13-10(15)12-7-5-6-1-2-8(7)16-6/h6-8H,1-5H2,(H2,12,13,14,15).
What are the key properties of 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide?
3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide has a molecular weight of 246.69 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)propanamide is sourced from PubChem (CID 80719423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).