(2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide

C19H21FN2O2 — CID 23625350

IUPAC(2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCc2cc(OCc3cccc(F)c3)ccc2C1
InChIInChI=1S/C19H21FN2O2/c1-13(19(21)23)22-8-7-15-10-18(6-5-16(15)11-22)24-12-14-3-2-4-17(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,21,23)/t13-/m1/s1
InChIKeyDGSOEQBFSBHRJZ-CYBMUJFWSA-N
MW328.39 g/mol
LogP2.64
Rot. Bonds5

About (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide

(2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide (PubChem CID 23625350) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
PubChem CID23625350
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCc2cc(OCc3cccc(F)c3)ccc2C1
InChIInChI=1S/C19H21FN2O2/c1-13(19(21)23)22-8-7-15-10-18(6-5-16(15)11-22)24-12-14-3-2-4-17(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,21,23)/t13-/m1/s1
InChIKeyDGSOEQBFSBHRJZ-CYBMUJFWSA-N
XLogP2.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide?
The IUPAC name of (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide (CID 23625350) is (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide.
What is the SMILES notation for (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide?
The canonical SMILES for (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide is C[C@H](C(N)=O)N1CCc2cc(OCc3cccc(F)c3)ccc2C1.
What is the InChIKey of (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide?
The InChIKey is DGSOEQBFSBHRJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13(19(21)23)22-8-7-15-10-18(6-5-16(15)11-22)24-12-14-3-2-4-17(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H2,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide?
(2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide has a molecular weight of 328.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-[(3-fluorophenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propanamide is sourced from PubChem (CID 23625350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).