5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H15ClN2O — CID 82584706

IUPAC5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CNCc2cccc(Cl)c21
InChIInChI=1S/C16H15ClN2O/c17-14-8-4-5-11-9-18-10-13(15(11)14)16(20)19-12-6-2-1-3-7-12/h1-8,13,18H,9-10H2,(H,19,20)
InChIKeyMYOKEYXYOLEAPB-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.17
Rot. Bonds2

About 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 82584706) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID82584706
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CNCc2cccc(Cl)c21
InChIInChI=1S/C16H15ClN2O/c17-14-8-4-5-11-9-18-10-13(15(11)14)16(20)19-12-6-2-1-3-7-12/h1-8,13,18H,9-10H2,(H,19,20)
InChIKeyMYOKEYXYOLEAPB-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide 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

5-methyl-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584358
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260610
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide
CID 82585206
N-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260797
(5R)-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175368389
N-(2-bromo-4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 81267883
N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584264
N-(4-chloro-2-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 107625573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 82584706) is 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1ccccc1)C1CNCc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is MYOKEYXYOLEAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-14-8-4-5-11-9-18-10-13(15(11)14)16(20)19-12-6-2-1-3-7-12/h1-8,13,18H,9-10H2,(H,19,20).
What are the key properties of 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 82584706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).