N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide

C13H9Cl3N2O — CID 24687609

IUPACN-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1ccncc1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-9-2-1-3-10(15)8(9)6-13(19)18-12-4-5-17-7-11(12)16/h1-5,7H,6H2,(H,17,18,19)
InChIKeyOJUYYBQRKAAQEZ-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.22
Rot. Bonds3

About N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide

N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide (PubChem CID 24687609) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide
PubChem CID24687609
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC NameN-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide
SMILESO=C(Cc1c(Cl)cccc1Cl)Nc1ccncc1Cl
InChIInChI=1S/C13H9Cl3N2O/c14-9-2-1-3-10(15)8(9)6-13(19)18-12-4-5-17-7-11(12)16/h1-5,7H,6H2,(H,17,18,19)
InChIKeyOJUYYBQRKAAQEZ-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide (CID 24687609) is N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide is O=C(Cc1c(Cl)cccc1Cl)Nc1ccncc1Cl.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is OJUYYBQRKAAQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-9-2-1-3-10(15)8(9)6-13(19)18-12-4-5-17-7-11(12)16/h1-5,7H,6H2,(H,17,18,19).
What are the key properties of N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide?
N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 315.59 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 24687609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).