2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide

C21H24Cl2N2O3 — CID 132667214

IUPAC2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC)cc1
InChIInChI=1S/C21H24Cl2N2O3/c1-4-15-8-10-16(11-9-15)28-13-20(26)25(14(2)21(27)24-3)12-17-18(22)6-5-7-19(17)23/h5-11,14H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyXZMBSTWRNJNTLP-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.10
Rot. Bonds8

About 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide

2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 132667214) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide
PubChem CID132667214
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC Name2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC)cc1
InChIInChI=1S/C21H24Cl2N2O3/c1-4-15-8-10-16(11-9-15)28-13-20(26)25(14(2)21(27)24-3)12-17-18(22)6-5-7-19(17)23/h5-11,14H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyXZMBSTWRNJNTLP-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 100596896
2-[(2,6-dichlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132671280
(2S)-N-cyclohexyl-2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]butanamide
CID 100586923
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 100510022
2-[[2-(4-tert-butylphenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132676613
2-[[2-(4-bromophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132680264
(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 100556081
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]propanamide
CID 132711719
2-[(4-chlorophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-methylpropanamide
CID 132677805
2-[[2-(4-bromophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132671942
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methylpropanamide
CID 132681342
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-methylpropanamide
CID 132681345

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide (CID 132667214) is 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide is CCc1ccc(OCC(=O)N(Cc2c(Cl)cccc2Cl)C(C)C(=O)NC)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is XZMBSTWRNJNTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-4-15-8-10-16(11-9-15)28-13-20(26)25(14(2)21(27)24-3)12-17-18(22)6-5-7-19(17)23/h5-11,14H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide?
2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 423.34 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl-[2-(4-ethylphenoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132667214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).