N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide

C17H18ClNO2 — CID 2632440

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyJAXVBVABDIIANN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 2632440) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID2632440
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyJAXVBVABDIIANN-UHFFFAOYSA-N
XLogP3.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-phenylethyl)acetamide
CID 17247484
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
2-(4-chlorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789180
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
2-(methylamino)-N-[2-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]ethyl]acetamide
CID 119751105
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide (CID 2632440) is N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is JAXVBVABDIIANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-13-2-8-16(9-3-13)21-12-17(20)19-11-10-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 2632440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).