N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C18H19ClN2O — CID 2107332

IUPACN-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-16-9-3-1-7-15(16)12-20-18(22)13-21-11-5-8-14-6-2-4-10-17(14)21/h1-4,6-7,9-10H,5,8,11-13H2,(H,20,22)
InChIKeyMIHLWVRNJLCNCT-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.41
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 2107332) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID2107332
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O/c19-16-9-3-1-7-15(16)12-20-18(22)13-21-11-5-8-14-6-2-4-10-17(14)21/h1-4,6-7,9-10H,5,8,11-13H2,(H,20,22)
InChIKeyMIHLWVRNJLCNCT-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 2107332) is N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is O=C(CN1CCCc2ccccc21)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is MIHLWVRNJLCNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-9-3-1-7-15(16)12-20-18(22)13-21-11-5-8-14-6-2-4-10-17(14)21/h1-4,6-7,9-10H,5,8,11-13H2,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 314.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 2107332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).