(3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C26H24N2O2 — CID 2127218

IUPAC(3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-25(27-23-14-13-18-11-6-12-20(18)15-23)24-16-21-9-4-5-10-22(21)17-28(24)26(30)19-7-2-1-3-8-19/h1-5,7-10,13-15,24H,6,11-12,16-17H2,(H,27,29)/t24-/m1/s1
InChIKeyURPHXJBGRCLEHX-XMMPIXPASA-N
MW396.49 g/mol
LogP4.38
Rot. Bonds3

About (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 2127218) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID2127218
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name(3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1
InChIInChI=1S/C26H24N2O2/c29-25(27-23-14-13-18-11-6-12-20(18)15-23)24-16-21-9-4-5-10-22(21)17-28(24)26(30)19-7-2-1-3-8-19/h1-5,7-10,13-15,24H,6,11-12,16-17H2,(H,27,29)/t24-/m1/s1
InChIKeyURPHXJBGRCLEHX-XMMPIXPASA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

(3S)-2-benzoyl-N-(3-cyanophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2480971
(3S)-2-benzoyl-N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 41093802
N-[(3S)-2-benzoyl-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 95095955
(3S)-N-(4-chlorophenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 11375102
N-[(3R)-2-benzoyl-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 95095833
N-(4-anilinophenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 46554451
methyl 2-[[(3R)-2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-chlorobenzoate
CID 2096519
(3S)-N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-4-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxobutan-2-yl]-2-(4-oxo-4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 146254179
(2S)-1-benzoyl-N-(3,4-dimethylphenyl)-2,3-dihydroindole-2-carboxamide
CID 92710318
N-(3-chloro-4-methylphenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42906629
N-(3-fluoro-4-methylphenyl)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 43008328
2-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196183

Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 2127218) is (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1.
What is the InChIKey of (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is URPHXJBGRCLEHX-XMMPIXPASA-N. The full InChI is InChI=1S/C26H24N2O2/c29-25(27-23-14-13-18-11-6-12-20(18)15-23)24-16-21-9-4-5-10-22(21)17-28(24)26(30)19-7-2-1-3-8-19/h1-5,7-10,13-15,24H,6,11-12,16-17H2,(H,27,29)/t24-/m1/s1.
What are the key properties of (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzoyl-N-(2,3-dihydro-1H-inden-5-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 2127218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).