N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C17H16F2N2O — CID 935039

IUPACN-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O/c18-14-5-6-16(15(19)9-14)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2,(H,20,22)
InChIKeyYZZKERGZGFWNDI-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.96
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide

N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 935039) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID935039
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC NameN-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESO=C(CN1CCc2ccccc2C1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H16F2N2O/c18-14-5-6-16(15(19)9-14)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2,(H,20,22)
InChIKeyYZZKERGZGFWNDI-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 935039) is N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is O=C(CN1CCc2ccccc2C1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is YZZKERGZGFWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-14-5-6-16(15(19)9-14)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2,(H,20,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 302.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 935039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).