3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide

C13H18ClNO2 — CID 82108960

IUPAC3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccccc1OC(C)CNC(=O)CCCl
InChIInChI=1S/C13H18ClNO2/c1-10-5-3-4-6-12(10)17-11(2)9-15-13(16)7-8-14/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyGJRNSUVYGVKIHC-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.51
Rot. Bonds6

About 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide

3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide (PubChem CID 82108960) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
PubChem CID82108960
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccccc1OC(C)CNC(=O)CCCl
InChIInChI=1S/C13H18ClNO2/c1-10-5-3-4-6-12(10)17-11(2)9-15-13(16)7-8-14/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyGJRNSUVYGVKIHC-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[2-(2-methylphenoxy)propyl]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-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82109450
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406
2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
2-chloro-N-[2-(2-propan-2-ylphenoxy)propyl]acetamide
CID 82110113
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508543
N-[2-(2-chlorophenoxy)propyl]-4-(methylamino)butanamide
CID 119725461
N-ethyl-2-[[ethylamino-[2-(2-methylphenoxy)propylamino]methylidene]amino]acetamide;hydroiodide
CID 111686449
2-(2-methylphenoxy)propylhydrazine
CID 82280822
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide (CID 82108960) is 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide is Cc1ccccc1OC(C)CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
The InChIKey is GJRNSUVYGVKIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10-5-3-4-6-12(10)17-11(2)9-15-13(16)7-8-14/h3-6,11H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide has a molecular weight of 255.74 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide is sourced from PubChem (CID 82108960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).