N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

C36H39FN2O — CID 142814519

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCc1ccccc1C1c2ccccc2[C@@H](C)CN1CC(=O)N(CC1=CC(C)CC=C1F)C1Cc2ccccc2C1
InChIInChI=1S/C36H39FN2O/c1-24-16-17-34(37)29(18-24)22-39(30-19-27-11-5-6-12-28(27)20-30)35(40)23-38-21-26(3)31-13-8-9-15-33(31)36(38)32-14-7-4-10-25(32)2/h4-15,17-18,24,26,30,36H,16,19-23H2,1-3H3/t24?,26-,36?/m0/s1
InChIKeyUHJQJOXTCLOOCP-LQWXBCBPSA-N
MW534.72 g/mol
LogP7.32
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (PubChem CID 142814519) has the molecular formula C36H39FN2O and a molecular weight of 534.72 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
PubChem CID142814519
Molecular FormulaC36H39FN2O
Molecular Weight534.72 g/mol
Exact Mass534.30
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCc1ccccc1C1c2ccccc2[C@@H](C)CN1CC(=O)N(CC1=CC(C)CC=C1F)C1Cc2ccccc2C1
InChIInChI=1S/C36H39FN2O/c1-24-16-17-34(37)29(18-24)22-39(30-19-27-11-5-6-12-28(27)20-30)35(40)23-38-21-26(3)31-13-8-9-15-33(31)36(38)32-14-7-4-10-25(32)2/h4-15,17-18,24,26,30,36H,16,19-23H2,1-3H3/t24?,26-,36?/m0/s1
InChIKeyUHJQJOXTCLOOCP-LQWXBCBPSA-N
XLogP7.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide 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 N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (CID 142814519) is N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is Cc1ccccc1C1c2ccccc2[C@@H](C)CN1CC(=O)N(CC1=CC(C)CC=C1F)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The InChIKey is UHJQJOXTCLOOCP-LQWXBCBPSA-N. The full InChI is InChI=1S/C36H39FN2O/c1-24-16-17-34(37)29(18-24)22-39(30-19-27-11-5-6-12-28(27)20-30)35(40)23-38-21-26(3)31-13-8-9-15-33(31)36(38)32-14-7-4-10-25(32)2/h4-15,17-18,24,26,30,36H,16,19-23H2,1-3H3/t24?,26-,36?/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide has a molecular weight of 534.72 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-[(6-fluoro-3-methylcyclohexa-1,5-dien-1-yl)methyl]-2-[(4R)-4-methyl-1-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is sourced from PubChem (CID 142814519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).