(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C18H19FN2O2 — CID 124589604

IUPAC(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1F)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C18H19FN2O2/c19-15-8-4-3-7-14(15)17(22)11-21-18(23)16-9-12-5-1-2-6-13(12)10-20-16/h1-8,16-17,20,22H,9-11H2,(H,21,23)/t16-,17-/m0/s1
InChIKeyYLOQVHCXGQUYJP-IRXDYDNUSA-N
MW314.36 g/mol
LogP1.69
Rot. Bonds4

About (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 124589604) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID124589604
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1F)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C18H19FN2O2/c19-15-8-4-3-7-14(15)17(22)11-21-18(23)16-9-12-5-1-2-6-13(12)10-20-16/h1-8,16-17,20,22H,9-11H2,(H,21,23)/t16-,17-/m0/s1
InChIKeyYLOQVHCXGQUYJP-IRXDYDNUSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 125150413
(3R)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 125150718
(3R)-N-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 124610090
(3R)-N-(2-hydroxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113492215
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63297112
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
(3R)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 124588211
(3R)-N-(2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113466541
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
3-methyl-2-[[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]methyl]butanoic acid
CID 65224076
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541
(3S)-N-(2,2-diethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896691

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 124589604) is (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NC[C@H](O)c1ccccc1F)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is YLOQVHCXGQUYJP-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H19FN2O2/c19-15-8-4-3-7-14(15)17(22)11-21-18(23)16-9-12-5-1-2-6-13(12)10-20-16/h1-8,16-17,20,22H,9-11H2,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 124589604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).