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

C13H18ClNO2 — CID 82109450

IUPAC2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccccc1OC(C)CNC(=O)C(C)Cl
InChIInChI=1S/C13H18ClNO2/c1-9-6-4-5-7-12(9)17-10(2)8-15-13(16)11(3)14/h4-7,10-11H,8H2,1-3H3,(H,15,16)
InChIKeyRFDLGQPBTDBEMX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.51
Rot. Bonds5

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

2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide (PubChem CID 82109450) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
PubChem CID82109450
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccccc1OC(C)CNC(=O)C(C)Cl
InChIInChI=1S/C13H18ClNO2/c1-9-6-4-5-7-12(9)17-10(2)8-15-13(16)11(3)14/h4-7,10-11H,8H2,1-3H3,(H,15,16)
InChIKeyRFDLGQPBTDBEMX-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(methylamino)-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804994
2-amino-N-[2-(2-methylphenoxy)propyl]-2-phenylacetamide
CID 119335783
3-chloro-N-[2-(2-methylphenoxy)propyl]propanamide
CID 82108960
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
3-amino-N-[2-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 119335768
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119335774
1-(3-hydroxybutyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508541
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406
1-(2-hydroxypentyl)-3-[2-(2-methylphenoxy)propyl]urea
CID 111508543
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 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
The IUPAC name of 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide (CID 82109450) is 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide is Cc1ccccc1OC(C)CNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
The InChIKey is RFDLGQPBTDBEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-6-4-5-7-12(9)17-10(2)8-15-13(16)11(3)14/h4-7,10-11H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide?
2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide has a molecular weight of 255.75 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylphenoxy)propyl]propanamide is sourced from PubChem (CID 82109450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).