N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide

C22H20ClNO3 — CID 1189115

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-15-12-20(21(26-2)13-19(15)23)24-22(25)14-27-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyDGMKPMFAXYBSPT-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.34
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide (PubChem CID 1189115) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
PubChem CID1189115
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20ClNO3/c1-15-12-20(21(26-2)13-19(15)23)24-22(25)14-27-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,25)
InChIKeyDGMKPMFAXYBSPT-UHFFFAOYSA-N
XLogP5.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 1184723
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174230
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840691
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
2-(4-phenylphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 4511691
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide
CID 41244659
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 27203066
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide (CID 1189115) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide is COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide?
The InChIKey is DGMKPMFAXYBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-15-12-20(21(26-2)13-19(15)23)24-22(25)14-27-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide has a molecular weight of 381.86 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 1189115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).