3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide

C15H20Cl2N2O3 — CID 108573287

IUPAC3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H20Cl2N2O3/c1-15(2,10-16)14(21)19-8-7-18-13(20)9-22-12-5-3-11(17)4-6-12/h3-6H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLOJZGHWJTIGMSU-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.22
Rot. Bonds8

About 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide

3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 108573287) has the molecular formula C15H20Cl2N2O3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID108573287
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H20Cl2N2O3/c1-15(2,10-16)14(21)19-8-7-18-13(20)9-22-12-5-3-11(17)4-6-12/h3-6H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLOJZGHWJTIGMSU-UHFFFAOYSA-N
XLogP2.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
3-chloro-2,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 82109933
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899485
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide (CID 108573287) is 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is LOJZGHWJTIGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-15(2,10-16)14(21)19-8-7-18-13(20)9-22-12-5-3-11(17)4-6-12/h3-6H,7-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide?
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 347.24 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 108573287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).