N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide

C9H16ClNO2 — CID 63397911

IUPACN-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1CC1
InChIInChI=1S/C9H16ClNO2/c1-11(5-8(10)6-13-2)9(12)7-3-4-7/h7-8H,3-6H2,1-2H3
InChIKeyPIJPUEXNVRFTCX-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.11
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide

N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide (PubChem CID 63397911) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide
PubChem CID63397911
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide
SMILESCOCC(Cl)CN(C)C(=O)C1CC1
InChIInChI=1S/C9H16ClNO2/c1-11(5-8(10)6-13-2)9(12)7-3-4-7/h7-8H,3-6H2,1-2H3
InChIKeyPIJPUEXNVRFTCX-UHFFFAOYSA-N
XLogP1.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide (CID 63397911) is N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide is COCC(Cl)CN(C)C(=O)C1CC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
The InChIKey is PIJPUEXNVRFTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-11(5-8(10)6-13-2)9(12)7-3-4-7/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide?
N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide has a molecular weight of 205.68 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 63397911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).