2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide

C21H18ClNO2 — CID 5085866

IUPAC2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C21H18ClNO2/c1-15-3-2-4-20(13-15)25-19-11-9-18(10-12-19)23-21(24)14-16-5-7-17(22)8-6-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyXMSUTFKPTKUHBM-UHFFFAOYSA-N
MW351.83 g/mol
LogP5.62
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide

2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide (PubChem CID 5085866) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
PubChem CID5085866
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
SMILESCc1cccc(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C21H18ClNO2/c1-15-3-2-4-20(13-15)25-19-11-9-18(10-12-19)23-21(24)14-16-5-7-17(22)8-6-16/h2-13H,14H2,1H3,(H,23,24)
InChIKeyXMSUTFKPTKUHBM-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7925070
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
N-[4-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)acetamide
CID 4575386
2-(2,5-dimethoxyphenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7581668
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
1-chloro-4-(3-methylphenoxy)benzene;yttrium
CID 159299201
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
2-(2-fluorophenoxy)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7925120
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
[3-[[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927723

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide (CID 5085866) is 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide is Cc1cccc(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
The InChIKey is XMSUTFKPTKUHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-15-3-2-4-20(13-15)25-19-11-9-18(10-12-19)23-21(24)14-16-5-7-17(22)8-6-16/h2-13H,14H2,1H3,(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide?
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide has a molecular weight of 351.83 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 5085866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).