2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

C30H24Cl4N2O4 — CID 2827268

IUPAC2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)c(C)c2)ccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C30H24Cl4N2O4/c1-17-11-19(3-7-25(17)35-29(37)15-39-27-9-5-21(31)13-23(27)33)20-4-8-26(18(2)12-20)36-30(38)16-40-28-10-6-22(32)14-24(28)34/h3-14H,15-16H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyAKVACYYFPHWPKB-UHFFFAOYSA-N
MW618.34 g/mol
LogP8.62
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide

2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (PubChem CID 2827268) has the molecular formula C30H24Cl4N2O4 and a molecular weight of 618.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
PubChem CID2827268
Molecular FormulaC30H24Cl4N2O4
Molecular Weight618.34 g/mol
Exact Mass616.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
SMILESCc1cc(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)c(C)c2)ccc1NC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C30H24Cl4N2O4/c1-17-11-19(3-7-25(17)35-29(37)15-39-27-9-5-21(31)13-23(27)33)20-4-8-26(18(2)12-20)36-30(38)16-40-28-10-6-22(32)14-24(28)34/h3-14H,15-16H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyAKVACYYFPHWPKB-UHFFFAOYSA-N
XLogP8.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.34
LogP ≤ 58.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide with MolForge

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Related Compounds

4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,3-dimethylbenzamide
CID 55706042
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
N-(4-chloro-2-methylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2627654
N-(4-chloro-2-methylphenyl)-2-(2,4-dibromophenoxy)acetamide
CID 1189036
2-(2-bromo-4,6-dichlorophenoxy)-N-[4-[4-[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 19628023
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
2-(4-bromo-2-methylphenoxy)-N-[4-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 5180819
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide (CID 2827268) is 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is Cc1cc(-c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)c(C)c2)ccc1NC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
The InChIKey is AKVACYYFPHWPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl4N2O4/c1-17-11-19(3-7-25(17)35-29(37)15-39-27-9-5-21(31)13-23(27)33)20-4-8-26(18(2)12-20)36-30(38)16-40-28-10-6-22(32)14-24(28)34/h3-14H,15-16H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide has a molecular weight of 618.34 g/mol, XLogP of 8.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 2827268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).