N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide

C22H25Cl3N2O3 — CID 132722766

IUPACN-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl3N2O3/c1-14(21(29)26-22(2,3)4)27(12-15-5-7-16(23)8-6-15)20(28)13-30-19-10-9-17(24)11-18(19)25/h5-11,14H,12-13H2,1-4H3,(H,26,29)
InChIKeyQXAOFJVMKHBOAW-UHFFFAOYSA-N
MW471.81 g/mol
LogP5.36
Rot. Bonds7

About N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide

N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide (PubChem CID 132722766) has the molecular formula C22H25Cl3N2O3 and a molecular weight of 471.81 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
PubChem CID132722766
Molecular FormulaC22H25Cl3N2O3
Molecular Weight471.81 g/mol
Exact Mass470.09
IUPAC NameN-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H25Cl3N2O3/c1-14(21(29)26-22(2,3)4)27(12-15-5-7-16(23)8-6-15)20(28)13-30-19-10-9-17(24)11-18(19)25/h5-11,14H,12-13H2,1-4H3,(H,26,29)
InChIKeyQXAOFJVMKHBOAW-UHFFFAOYSA-N
XLogP5.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.81
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide with MolForge

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Related Compounds

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-tert-butylpropanamide
CID 132728782
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-(2-phenylethyl)amino]propanamide
CID 132717313
N-tert-butyl-2-[[2-(2,4-dichlorophenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132616960
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]propanamide
CID 132709167
2-[[2-(2-bromo-4-ethylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133233662
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 132738647
N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]propanamide
CID 132718318
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 132721636
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-tert-butylpropanamide
CID 133145707
2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132986177
2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethylbutanamide
CID 132675693
2-[(4-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146340

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide (CID 132722766) is N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide is CC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
The InChIKey is QXAOFJVMKHBOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl3N2O3/c1-14(21(29)26-22(2,3)4)27(12-15-5-7-16(23)8-6-15)20(28)13-30-19-10-9-17(24)11-18(19)25/h5-11,14H,12-13H2,1-4H3,(H,26,29).
What are the key properties of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide?
N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide has a molecular weight of 471.81 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 132722766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).