N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide

C71H97Cl3F3N13O16 — CID 158667385

IUPACN-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide
SMILESCOCC(=O)NC(C)c1ccccc1.COCC(=O)NC(C)c1ccccc1Cl.COCC(=O)NC1CC1.COCC(=O)NC1CCC1.COCC(=O)NCc1ccc(Cl)nc1.COCC(=O)NCc1ccncc1.COCC(=O)NCc1ncc(C(F)(F)F)cc1Cl.COCC(=O)NCc1ncccn1
InChIInChI=1S/C11H14ClNO2.C11H15NO2.C10H10ClF3N2O2.C9H11ClN2O2.C9H12N2O2.C8H11N3O2.C7H13NO2.C6H11NO2/c1-8(13-11(14)7-15-2)9-5-3-4-6-10(9)12;1-9(12-11(13)8-14-2)10-6-4-3-5-7-10;1-18-5-9(17)16-4-8-7(11)2-6(3-15-8)10(12,13)14;1-14-6-9(13)12-5-7-2-3-8(10)11-4-7;1-13-7-9(12)11-6-8-2-4-10-5-3-8;1-13-6-8(12)11-5-7-9-3-2-4-10-7;1-10-5-7(9)8-6-3-2-4-6;1-9-4-6(8)7-5-2-3-5/h3-6,8H,7H2,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3,(H,12,13);2-3H,4-5H2,1H3,(H,16,17);2-4H,5-6H2,1H3,(H,12,13);2-5H,6-7H2,1H3,(H,11,12);2-4H,5-6H2,1H3,(H,11,12);6H,2-5H2,1H3,(H,8,9);5H,2-4H2,1H3,(H,7,8)
InChIKeyRKLSTBGGVAUUDA-UHFFFAOYSA-N
MW1551.98 g/mol
LogP6.98
Rot. Bonds30

About N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide

N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide (PubChem CID 158667385) has the molecular formula C71H97Cl3F3N13O16 and a molecular weight of 1551.98 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide
PubChem CID158667385
Molecular FormulaC71H97Cl3F3N13O16
Molecular Weight1551.98 g/mol
Exact Mass1549.62
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide
SMILESCOCC(=O)NC(C)c1ccccc1.COCC(=O)NC(C)c1ccccc1Cl.COCC(=O)NC1CC1.COCC(=O)NC1CCC1.COCC(=O)NCc1ccc(Cl)nc1.COCC(=O)NCc1ccncc1.COCC(=O)NCc1ncc(C(F)(F)F)cc1Cl.COCC(=O)NCc1ncccn1
InChIInChI=1S/C11H14ClNO2.C11H15NO2.C10H10ClF3N2O2.C9H11ClN2O2.C9H12N2O2.C8H11N3O2.C7H13NO2.C6H11NO2/c1-8(13-11(14)7-15-2)9-5-3-4-6-10(9)12;1-9(12-11(13)8-14-2)10-6-4-3-5-7-10;1-18-5-9(17)16-4-8-7(11)2-6(3-15-8)10(12,13)14;1-14-6-9(13)12-5-7-2-3-8(10)11-4-7;1-13-7-9(12)11-6-8-2-4-10-5-3-8;1-13-6-8(12)11-5-7-9-3-2-4-10-7;1-10-5-7(9)8-6-3-2-4-6;1-9-4-6(8)7-5-2-3-5/h3-6,8H,7H2,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3,(H,12,13);2-3H,4-5H2,1H3,(H,16,17);2-4H,5-6H2,1H3,(H,12,13);2-5H,6-7H2,1H3,(H,11,12);2-4H,5-6H2,1H3,(H,11,12);6H,2-5H2,1H3,(H,8,9);5H,2-4H2,1H3,(H,7,8)
InChIKeyRKLSTBGGVAUUDA-UHFFFAOYSA-N
XLogP6.98
TPSA371.09 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001551.98
LogP ≤ 56.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide (CID 158667385) is N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide is COCC(=O)NC(C)c1ccccc1.COCC(=O)NC(C)c1ccccc1Cl.COCC(=O)NC1CC1.COCC(=O)NC1CCC1.COCC(=O)NCc1ccc(Cl)nc1.COCC(=O)NCc1ccncc1.COCC(=O)NCc1ncc(C(F)(F)F)cc1Cl.COCC(=O)NCc1ncccn1.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide?
The InChIKey is RKLSTBGGVAUUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.C11H15NO2.C10H10ClF3N2O2.C9H11ClN2O2.C9H12N2O2.C8H11N3O2.C7H13NO2.C6H11NO2/c1-8(13-11(14)7-15-2)9-5-3-4-6-10(9)12;1-9(12-11(13)8-14-2)10-6-4-3-5-7-10;1-18-5-9(17)16-4-8-7(11)2-6(3-15-8)10(12,13)14;1-14-6-9(13)12-5-7-2-3-8(10)11-4-7;1-13-7-9(12)11-6-8-2-4-10-5-3-8;1-13-6-8(12)11-5-7-9-3-2-4-10-7;1-10-5-7(9)8-6-3-2-4-6;1-9-4-6(8)7-5-2-3-5/h3-6,8H,7H2,1-2H3,(H,13,14);3-7,9H,8H2,1-2H3,(H,12,13);2-3H,4-5H2,1H3,(H,16,17);2-4H,5-6H2,1H3,(H,12,13);2-5H,6-7H2,1H3,(H,11,12);2-4H,5-6H2,1H3,(H,11,12);6H,2-5H2,1H3,(H,8,9);5H,2-4H2,1H3,(H,7,8).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide?
N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide has a molecular weight of 1551.98 g/mol, XLogP of 6.98, 30 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-methoxyacetamide;N-[(6-chloro-3-pyridinyl)methyl]-2-methoxyacetamide;N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methoxyacetamide;N-cyclobutyl-2-methoxyacetamide;N-cyclopropyl-2-methoxyacetamide;2-methoxy-N-(1-phenylethyl)acetamide;2-methoxy-N-(pyridin-4-ylmethyl)acetamide;2-methoxy-N-(pyrimidin-2-ylmethyl)acetamide is sourced from PubChem (CID 158667385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).