2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene

C21H27Cl2NO3 — CID 170771215

IUPAC2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene
SMILESC.C/C=C\CC.O=C(COc1ccc(Cl)cc1Cl)NOCc1ccccc1
InChIInChI=1S/C15H13Cl2NO3.C5H10.CH4/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-21-9-11-4-2-1-3-5-11;1-3-5-4-2;/h1-8H,9-10H2,(H,18,19);3,5H,4H2,1-2H3;1H4/b;5-3-;
InChIKeyLCGUQLZQDYLWGP-FMFSYIAASA-N
MW412.36 g/mol
LogP6.23
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene

2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene (PubChem CID 170771215) has the molecular formula C21H27Cl2NO3 and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene
PubChem CID170771215
Molecular FormulaC21H27Cl2NO3
Molecular Weight412.36 g/mol
Exact Mass411.14
IUPAC Name2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene
SMILESC.C/C=C\CC.O=C(COc1ccc(Cl)cc1Cl)NOCc1ccccc1
InChIInChI=1S/C15H13Cl2NO3.C5H10.CH4/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-21-9-11-4-2-1-3-5-11;1-3-5-4-2;/h1-8H,9-10H2,(H,18,19);3,5H,4H2,1-2H3;1H4/b;5-3-;
InChIKeyLCGUQLZQDYLWGP-FMFSYIAASA-N
XLogP6.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.36
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-phenylmethoxyacetamide
CID 9227433
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024
2-(2,4-dichlorophenoxy)-N-prop-2-enoxyacetamide
CID 170771177
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide
CID 9227392
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
4-(2,4-dichlorophenoxy)-N-ethoxybutanamide
CID 52540404
(Z)-N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenylprop-2-enehydrazide
CID 93027879
2-(2,4-dichlorophenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659055

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene (CID 170771215) is 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene is C.C/C=C\CC.O=C(COc1ccc(Cl)cc1Cl)NOCc1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene?
The InChIKey is LCGUQLZQDYLWGP-FMFSYIAASA-N. The full InChI is InChI=1S/C15H13Cl2NO3.C5H10.CH4/c16-12-6-7-14(13(17)8-12)20-10-15(19)18-21-9-11-4-2-1-3-5-11;1-3-5-4-2;/h1-8H,9-10H2,(H,18,19);3,5H,4H2,1-2H3;1H4/b;5-3-;.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene?
2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene has a molecular weight of 412.36 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-phenylmethoxyacetamide;methane;(Z)-pent-2-ene is sourced from PubChem (CID 170771215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).