2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide

C17H15Cl3N2O3 — CID 7936907

IUPAC2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl3N2O3/c1-10-6-11(18)3-5-15(10)25-9-17(24)21-8-16(23)22-14-7-12(19)2-4-13(14)20/h2-7H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyXBDFMKVNSLIHLK-UHFFFAOYSA-N
MW401.68 g/mol
LogP4.09
Rot. Bonds6

About 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 7936907) has the molecular formula C17H15Cl3N2O3 and a molecular weight of 401.68 g/mol. Its IUPAC name is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
PubChem CID7936907
Molecular FormulaC17H15Cl3N2O3
Molecular Weight401.68 g/mol
Exact Mass400.01
IUPAC Name2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H15Cl3N2O3/c1-10-6-11(18)3-5-15(10)25-9-17(24)21-8-16(23)22-14-7-12(19)2-4-13(14)20/h2-7H,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyXBDFMKVNSLIHLK-UHFFFAOYSA-N
XLogP4.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16548228
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
methyl 3-chloro-4-[2-(2,5-dichloroanilino)-2-oxoethoxy]benzoate
CID 55321046
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide (CID 7936907) is 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide is Cc1cc(Cl)ccc1OCC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is XBDFMKVNSLIHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O3/c1-10-6-11(18)3-5-15(10)25-9-17(24)21-8-16(23)22-14-7-12(19)2-4-13(14)20/h2-7H,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide?
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 401.68 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 7936907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).