(2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

C20H21NO2 — CID 71925445

IUPAC(2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(N1CCc2ccccc2CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C20H21NO2/c22-19(20(23)13-17-7-3-4-8-18(17)14-20)21-11-9-15-5-1-2-6-16(15)10-12-21/h1-8,23H,9-14H2
InChIKeyNFBWEWFXDMKUCK-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.14
Rot. Bonds1

About (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone

(2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (PubChem CID 71925445) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
PubChem CID71925445
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
SMILESO=C(N1CCc2ccccc2CC1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C20H21NO2/c22-19(20(23)13-17-7-3-4-8-18(17)14-20)21-11-9-15-5-1-2-6-16(15)10-12-21/h1-8,23H,9-14H2
InChIKeyNFBWEWFXDMKUCK-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone with MolForge

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Related Compounds

US10155733, Strucure 7j
CID 122664448
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71856932
(2-Hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
CID 71874541
2-{[1,1'-biphenyl]-4-yl}-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]acetamide
CID 91631187
2-hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
CID 398109
(2-Hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 71925528
2-(4-fluorophenyl)-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 92125253
1-(4-fluorophenyl)-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclopropanecarboxamide
CID 92125375
3-(2-fluorophenyl)-N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)propanamide
CID 92125397
N-((2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 92125400
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 137839700
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137864005

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone (CID 71925445) is (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone.
What is the SMILES notation for (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The canonical SMILES for (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is O=C(N1CCc2ccccc2CC1)C1(O)Cc2ccccc2C1.
What is the InChIKey of (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
The InChIKey is NFBWEWFXDMKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-19(20(23)13-17-7-3-4-8-18(17)14-20)21-11-9-15-5-1-2-6-16(15)10-12-21/h1-8,23H,9-14H2.
What are the key properties of (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone?
(2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone has a molecular weight of 307.39 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone is sourced from PubChem (CID 71925445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).