2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide

C23H23ClN2O3 — CID 126264485

IUPAC2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H23ClN2O3/c1-16-8-10-18(24)13-20(16)25-14-17-9-11-21(22(12-17)28-2)29-15-23(27)26-19-6-4-3-5-7-19/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyWFMJACZPFSOMDI-UHFFFAOYSA-N
MW410.90 g/mol
LogP5.29
Rot. Bonds8

About 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide

2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide (PubChem CID 126264485) has the molecular formula C23H23ClN2O3 and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
PubChem CID126264485
Molecular FormulaC23H23ClN2O3
Molecular Weight410.90 g/mol
Exact Mass410.14
IUPAC Name2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C23H23ClN2O3/c1-16-8-10-18(24)13-20(16)25-14-17-9-11-21(22(12-17)28-2)29-15-23(27)26-19-6-4-3-5-7-19/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyWFMJACZPFSOMDI-UHFFFAOYSA-N
XLogP5.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.90
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 126384345
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126254566
2-[4-[(5-chloro-2-methylanilino)methyl]-2-ethoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 3925618
2-[2-chloro-4-[(5-chloro-2-methylanilino)methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126258088
5-chloro-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylaniline
CID 126121919
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3418656
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide (CID 126264485) is 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide is COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
The InChIKey is WFMJACZPFSOMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3/c1-16-8-10-18(24)13-20(16)25-14-17-9-11-21(22(12-17)28-2)29-15-23(27)26-19-6-4-3-5-7-19/h3-13,25H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide?
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide has a molecular weight of 410.90 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide is sourced from PubChem (CID 126264485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).