2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide

C25H27ClN2O3 — CID 3341523

IUPAC2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C25H27ClN2O3/c1-16-8-10-21(17(2)12-16)28-25(29)15-31-23-11-9-19(13-24(23)30-4)14-27-22-7-5-6-20(26)18(22)3/h5-13,27H,14-15H2,1-4H3,(H,28,29)
InChIKeyBGGVTWRUIJHYJN-UHFFFAOYSA-N
MW438.96 g/mol
LogP5.90
Rot. Bonds8

About 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide

2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 3341523) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
PubChem CID3341523
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC Name2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C25H27ClN2O3/c1-16-8-10-21(17(2)12-16)28-25(29)15-31-23-11-9-19(13-24(23)30-4)14-27-22-7-5-6-20(26)18(22)3/h5-13,27H,14-15H2,1-4H3,(H,28,29)
InChIKeyBGGVTWRUIJHYJN-UHFFFAOYSA-N
XLogP5.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126273033
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591
2-[2-chloro-4-[(3-chloro-2-methylanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 4684440
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126380861
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380816
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
2-[4-[(2-chloroanilino)methyl]-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 126381244
N-(3-chloro-2-methylphenyl)-2-[4-[(Z)-[3-(2,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetamide
CID 126228855
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 3341523) is 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide is COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is BGGVTWRUIJHYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-16-8-10-21(17(2)12-16)28-25(29)15-31-23-11-9-19(13-24(23)30-4)14-27-22-7-5-6-20(26)18(22)3/h5-13,27H,14-15H2,1-4H3,(H,28,29).
What are the key properties of 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide?
2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 438.96 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 3341523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).