2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide

C12H14Cl2N2O — CID 15087761

IUPAC2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide
SMILESCc1nc2c(c(NC(=O)CCl)c1Cl)CCCC2
InChIInChI=1S/C12H14Cl2N2O/c1-7-11(14)12(16-10(17)6-13)8-4-2-3-5-9(8)15-7/h2-6H2,1H3,(H,15,16,17)
InChIKeyKRKDZCXDEAWTMA-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide

2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide (PubChem CID 15087761) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide
PubChem CID15087761
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide
SMILESCc1nc2c(c(NC(=O)CCl)c1Cl)CCCC2
InChIInChI=1S/C12H14Cl2N2O/c1-7-11(14)12(16-10(17)6-13)8-4-2-3-5-9(8)15-7/h2-6H2,1H3,(H,15,16,17)
InChIKeyKRKDZCXDEAWTMA-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide (CID 15087761) is 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide is Cc1nc2c(c(NC(=O)CCl)c1Cl)CCCC2.
What is the InChIKey of 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The InChIKey is KRKDZCXDEAWTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7-11(14)12(16-10(17)6-13)8-4-2-3-5-9(8)15-7/h2-6H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide has a molecular weight of 273.16 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)acetamide is sourced from PubChem (CID 15087761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).