5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide

C21H21FN2O — CID 159806335

IUPAC5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide
SMILESCC1=C(C)c2c(-c3cccc4c3CCNC4)cc(F)c(C(N)=O)c2C1
InChIInChI=1S/C21H21FN2O/c1-11-8-17-19(12(11)2)16(9-18(22)20(17)21(23)25)15-5-3-4-13-10-24-7-6-14(13)15/h3-5,9,24H,6-8,10H2,1-2H3,(H2,23,25)
InChIKeyNKLFDXUDGSMUSI-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.59
Rot. Bonds2

About 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide

5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide (PubChem CID 159806335) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide
PubChem CID159806335
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide
SMILESCC1=C(C)c2c(-c3cccc4c3CCNC4)cc(F)c(C(N)=O)c2C1
InChIInChI=1S/C21H21FN2O/c1-11-8-17-19(12(11)2)16(9-18(22)20(17)21(23)25)15-5-3-4-13-10-24-7-6-14(13)15/h3-5,9,24H,6-8,10H2,1-2H3,(H2,23,25)
InChIKeyNKLFDXUDGSMUSI-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-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

3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56874025
3,6,6-trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-5-yl)-5,7,8,9-tetrahydrofluorene-1-carboxamide
CID 159715980
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
CID 56862165
2-methoxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 56875194
5-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56861224
3-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-9H-fluorene-1-carboxamide
CID 147953968
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
4-chloro-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzoic acid
CID 56866256
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790355
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 103144140
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide?
The IUPAC name of 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide (CID 159806335) is 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide?
The canonical SMILES for 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide is CC1=C(C)c2c(-c3cccc4c3CCNC4)cc(F)c(C(N)=O)c2C1.
What is the InChIKey of 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide?
The InChIKey is NKLFDXUDGSMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-11-8-17-19(12(11)2)16(9-18(22)20(17)21(23)25)15-5-3-4-13-10-24-7-6-14(13)15/h3-5,9,24H,6-8,10H2,1-2H3,(H2,23,25).
What are the key properties of 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide?
5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,2-dimethyl-7-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-indene-4-carboxamide is sourced from PubChem (CID 159806335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).