N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide

C23H22ClNO4 — CID 1184723

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCOc1cc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C23H22ClNO4/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)29-14-23(26)25-20-13-21(27-2)19(24)12-22(20)28-3/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyUDHBPEXBMGNXAZ-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.35
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide (PubChem CID 1184723) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
PubChem CID1184723
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCOc1cc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)cc1Cl
InChIInChI=1S/C23H22ClNO4/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)29-14-23(26)25-20-13-21(27-2)19(24)12-22(20)28-3/h4-13H,14H2,1-3H3,(H,25,26)
InChIKeyUDHBPEXBMGNXAZ-UHFFFAOYSA-N
XLogP5.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113001562
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-phenylphenoxy)acetamide
CID 1189115
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368813
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1020008
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 1139897
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide (CID 1184723) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide is COc1cc(NC(=O)COc2ccc(-c3ccc(C)cc3)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The InChIKey is UDHBPEXBMGNXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-15-4-6-16(7-5-15)17-8-10-18(11-9-17)29-14-23(26)25-20-13-21(27-2)19(24)12-22(20)28-3/h4-13H,14H2,1-3H3,(H,25,26).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide has a molecular weight of 411.89 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide is sourced from PubChem (CID 1184723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).