N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide

C17H18ClNO2 — CID 6915501

IUPACN-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-12-6-5-8-15(10-12)21-13(2)17(20)19-11-14-7-3-4-9-16(14)18/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyLWHUKHKPLGFPDY-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.73
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide

N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide (PubChem CID 6915501) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
PubChem CID6915501
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-12-6-5-8-15(10-12)21-13(2)17(20)19-11-14-7-3-4-9-16(14)18/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyLWHUKHKPLGFPDY-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide
CID 55659323
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
N-[(2-chlorophenyl)methyl]-2-(4-iodophenoxy)propanamide
CID 24511812
N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
2-(3-methylphenoxy)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24554461
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-N-(2,6-dichlorophenyl)-2-(3-methylphenoxy)propanamide
CID 41176982
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 75455498

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide (CID 6915501) is N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is LWHUKHKPLGFPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-12-6-5-8-15(10-12)21-13(2)17(20)19-11-14-7-3-4-9-16(14)18/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide?
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 303.79 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 6915501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).