N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide

C21H20ClN3O2 — CID 113031026

IUPACN-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H20ClN3O2/c22-17-6-4-5-16(13-17)11-12-23-18-9-10-20(24-14-18)25-21(26)15-27-19-7-2-1-3-8-19/h1-10,13-14,23H,11-12,15H2,(H,24,25,26)
InChIKeySEGARGKSRBCJSC-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.41
Rot. Bonds8

About N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide

N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide (PubChem CID 113031026) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
PubChem CID113031026
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(NCCc2cccc(Cl)c2)cn1
InChIInChI=1S/C21H20ClN3O2/c22-17-6-4-5-16(13-17)11-12-23-18-9-10-20(24-14-18)25-21(26)15-27-19-7-2-1-3-8-19/h1-10,13-14,23H,11-12,15H2,(H,24,25,26)
InChIKeySEGARGKSRBCJSC-UHFFFAOYSA-N
XLogP4.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113015813
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028482
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026614
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenoxyacetamide
CID 113032117
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
1-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-3-cyclopropylurea
CID 113015835
2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide (CID 113031026) is N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(NCCc2cccc(Cl)c2)cn1.
What is the InChIKey of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide?
The InChIKey is SEGARGKSRBCJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-17-6-4-5-16(13-17)11-12-23-18-9-10-20(24-14-18)25-21(26)15-27-19-7-2-1-3-8-19/h1-10,13-14,23H,11-12,15H2,(H,24,25,26).
What are the key properties of N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide?
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide has a molecular weight of 381.86 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-phenoxyacetamide is sourced from PubChem (CID 113031026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).