2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide

C8H13ClN2O2 — CID 62410358

IUPAC2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NC1CC1C
InChIInChI=1S/C8H13ClN2O2/c1-4-3-6(4)10-8(13)11-7(12)5(2)9/h4-6H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyJGAKJTPRUNBRQG-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.85
Rot. Bonds2

About 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide

2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide (PubChem CID 62410358) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide
PubChem CID62410358
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NC1CC1C
InChIInChI=1S/C8H13ClN2O2/c1-4-3-6(4)10-8(13)11-7(12)5(2)9/h4-6H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyJGAKJTPRUNBRQG-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.85
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 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide (CID 62410358) is 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NC1CC1C.
What is the InChIKey of 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide?
The InChIKey is JGAKJTPRUNBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-4-3-6(4)10-8(13)11-7(12)5(2)9/h4-6H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide?
2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide has a molecular weight of 204.66 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide is sourced from PubChem (CID 62410358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).