N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide

C19H19F2N3O2 — CID 86856703

IUPACN'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C19H19F2N3O2/c20-15-6-3-7-16(17(15)21)23-19(26)18(25)22-9-11-24-10-8-13-4-1-2-5-14(13)12-24/h1-7H,8-12H2,(H,22,25)(H,23,26)
InChIKeyTYNCGGOFAKPQOZ-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.08
Rot. Bonds4

About N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide

N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide (PubChem CID 86856703) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide
PubChem CID86856703
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C19H19F2N3O2/c20-15-6-3-7-16(17(15)21)23-19(26)18(25)22-9-11-24-10-8-13-4-1-2-5-14(13)12-24/h1-7H,8-12H2,(H,22,25)(H,23,26)
InChIKeyTYNCGGOFAKPQOZ-UHFFFAOYSA-N
XLogP2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-acetamido-2-fluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide
CID 86997045
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50744738
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 78851426
tert-butyl N-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]carbamate
CID 110457194
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide;dihydrochloride
CID 119946558
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
N'-(3,4-difluorophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyloxamide
CID 47645078
N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522812
N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269158
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 38554479
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide?
The IUPAC name of N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide (CID 86856703) is N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide is O=C(NCCN1CCc2ccccc2C1)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide?
The InChIKey is TYNCGGOFAKPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c20-15-6-3-7-16(17(15)21)23-19(26)18(25)22-9-11-24-10-8-13-4-1-2-5-14(13)12-24/h1-7H,8-12H2,(H,22,25)(H,23,26).
What are the key properties of N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide?
N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide has a molecular weight of 359.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-difluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide is sourced from PubChem (CID 86856703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).