2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide

C22H20ClF2N3O2 — CID 58019962

IUPAC2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(Cc2ccc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C22H20ClF2N3O2/c1-28(13-20(26)29)21-8-6-15(12-27-21)9-14-5-7-19(30-22(24)25)18(10-14)16-3-2-4-17(23)11-16/h2-8,10-12,22H,9,13H2,1H3,(H2,26,29)
InChIKeyMEQIELDIZQSRND-UHFFFAOYSA-N
MW431.87 g/mol
LogP4.52
Rot. Bonds8

About 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide

2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide (PubChem CID 58019962) has the molecular formula C22H20ClF2N3O2 and a molecular weight of 431.87 g/mol. Its IUPAC name is 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide
PubChem CID58019962
Molecular FormulaC22H20ClF2N3O2
Molecular Weight431.87 g/mol
Exact Mass431.12
IUPAC Name2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(Cc2ccc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1
InChIInChI=1S/C22H20ClF2N3O2/c1-28(13-20(26)29)21-8-6-15(12-27-21)9-14-5-7-19(30-22(24)25)18(10-14)16-3-2-4-17(23)11-16/h2-8,10-12,22H,9,13H2,1H3,(H2,26,29)
InChIKeyMEQIELDIZQSRND-UHFFFAOYSA-N
XLogP4.52
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide?
The IUPAC name of 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide (CID 58019962) is 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide?
The canonical SMILES for 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide is CN(CC(N)=O)c1ccc(Cc2ccc(OC(F)F)c(-c3cccc(Cl)c3)c2)cn1.
What is the InChIKey of 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide?
The InChIKey is MEQIELDIZQSRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O2/c1-28(13-20(26)29)21-8-6-15(12-27-21)9-14-5-7-19(30-22(24)25)18(10-14)16-3-2-4-17(23)11-16/h2-8,10-12,22H,9,13H2,1H3,(H2,26,29).
What are the key properties of 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide?
2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide has a molecular weight of 431.87 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-2-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 58019962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).