2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

C22H20Cl2N2O2 — CID 126212904

IUPAC2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2CNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C22H20Cl2N2O2/c1-15-5-4-7-18(11-15)26-22(27)14-28-21-8-3-2-6-16(21)13-25-17-9-10-19(23)20(24)12-17/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyVTLIGDUOQVPALT-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.93
Rot. Bonds7

About 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126212904) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126212904
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2ccccc2CNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C22H20Cl2N2O2/c1-15-5-4-7-18(11-15)26-22(27)14-28-21-8-3-2-6-16(21)13-25-17-9-10-19(23)20(24)12-17/h2-12,25H,13-14H2,1H3,(H,26,27)
InChIKeyVTLIGDUOQVPALT-UHFFFAOYSA-N
XLogP5.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66538843
2-[4-bromo-2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539550
2-[2-(anilinomethyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 66538833
N-(3-methylphenyl)-2-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7387007
2-[2-[(3,3-dimethylbutan-2-ylamino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 19615651
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
[2-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7386993
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
2-(2-acetamidophenoxy)-N-(3-methylphenyl)acetamide
CID 7867297
2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoic acid
CID 4671678
5-[[2-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]-2-chlorobenzoic acid
CID 17058497

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126212904) is 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is VTLIGDUOQVPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-15-5-4-7-18(11-15)26-22(27)14-28-21-8-3-2-6-16(21)13-25-17-9-10-19(23)20(24)12-17/h2-12,25H,13-14H2,1H3,(H,26,27).
What are the key properties of 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 415.32 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichloroanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126212904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).