N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide

C21H17Cl4N3O2 — CID 127028748

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl4N3O2/c22-15-5-3-13(8-17(15)24)10-26-19-2-1-7-28(21(19)30)12-20(29)27-11-14-4-6-16(23)18(25)9-14/h1-9,26H,10-12H2,(H,27,29)
InChIKeyDKZOEKMXIOCORA-UHFFFAOYSA-N
MW485.20 g/mol
LogP5.39
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide (PubChem CID 127028748) has the molecular formula C21H17Cl4N3O2 and a molecular weight of 485.20 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
PubChem CID127028748
Molecular FormulaC21H17Cl4N3O2
Molecular Weight485.20 g/mol
Exact Mass483.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H17Cl4N3O2/c22-15-5-3-13(8-17(15)24)10-26-19-2-1-7-28(21(19)30)12-20(29)27-11-14-4-6-16(23)18(25)9-14/h1-9,26H,10-12H2,(H,27,29)
InChIKeyDKZOEKMXIOCORA-UHFFFAOYSA-N
XLogP5.39
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.20
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide (CID 127028748) is N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide is O=C(Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is DKZOEKMXIOCORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl4N3O2/c22-15-5-3-13(8-17(15)24)10-26-19-2-1-7-28(21(19)30)12-20(29)27-11-14-4-6-16(23)18(25)9-14/h1-9,26H,10-12H2,(H,27,29).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 485.20 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 127028748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).