2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide

C23H26FN3O4 — CID 118929974

IUPAC2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C23H26FN3O4/c24-19-11-16(23(30)27-7-9-31-10-8-27)5-6-18(19)22(29)26-14-21(28)20-12-15-3-1-2-4-17(15)13-25-20/h1-6,11,20-21,25,28H,7-10,12-14H2,(H,26,29)/t20-,21+/m0/s1
InChIKeyWRONZSSVEREKGK-LEWJYISDSA-N
MW427.48 g/mol
LogP1.10
Rot. Bonds5

About 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide

2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide (PubChem CID 118929974) has the molecular formula C23H26FN3O4 and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide
PubChem CID118929974
Molecular FormulaC23H26FN3O4
Molecular Weight427.48 g/mol
Exact Mass427.19
IUPAC Name2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cc1F
InChIInChI=1S/C23H26FN3O4/c24-19-11-16(23(30)27-7-9-31-10-8-27)5-6-18(19)22(29)26-14-21(28)20-12-15-3-1-2-4-17(15)13-25-20/h1-6,11,20-21,25,28H,7-10,12-14H2,(H,26,29)/t20-,21+/m0/s1
InChIKeyWRONZSSVEREKGK-LEWJYISDSA-N
XLogP1.10
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide 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 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide (CID 118929974) is 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide is O=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cc1F.
What is the InChIKey of 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is WRONZSSVEREKGK-LEWJYISDSA-N. The full InChI is InChI=1S/C23H26FN3O4/c24-19-11-16(23(30)27-7-9-31-10-8-27)5-6-18(19)22(29)26-14-21(28)20-12-15-3-1-2-4-17(15)13-25-20/h1-6,11,20-21,25,28H,7-10,12-14H2,(H,26,29)/t20-,21+/m0/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide?
2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 427.48 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 118929974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).