N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide

C28H25N3O2 — CID 46091673

IUPACN-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NC4Cc5ccccc5C4)cc3)n[nH]c1-2
InChIInChI=1S/C28H25N3O2/c1-33-23-11-13-24-21(16-23)10-12-25-26(30-31-27(24)25)17-6-8-18(9-7-17)28(32)29-22-14-19-4-2-3-5-20(19)15-22/h2-9,11,13,16,22H,10,12,14-15H2,1H3,(H,29,32)(H,30,31)
InChIKeyGBYFICMMEMCARE-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.75
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide

N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide (PubChem CID 46091673) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
PubChem CID46091673
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NC4Cc5ccccc5C4)cc3)n[nH]c1-2
InChIInChI=1S/C28H25N3O2/c1-33-23-11-13-24-21(16-23)10-12-25-26(30-31-27(24)25)17-6-8-18(9-7-17)28(32)29-22-14-19-4-2-3-5-20(19)15-22/h2-9,11,13,16,22H,10,12,14-15H2,1H3,(H,29,32)(H,30,31)
InChIKeyGBYFICMMEMCARE-UHFFFAOYSA-N
XLogP4.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-(2-methylsulfanylethyl)benzamide
CID 46704846
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 93017301
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 46091633
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
CID 46091725
N-[(3,4-difluorophenyl)methyl]-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 91633968
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)phenyl]methanone
CID 46091674
N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide
CID 46092028
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-(2-phenoxyethyl)benzamide
CID 46092004
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 46704851
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871
N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954114

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide (CID 46091673) is N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide is COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NC4Cc5ccccc5C4)cc3)n[nH]c1-2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide?
The InChIKey is GBYFICMMEMCARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-33-23-11-13-24-21(16-23)10-12-25-26(30-31-27(24)25)17-6-8-18(9-7-17)28(32)29-22-14-19-4-2-3-5-20(19)15-22/h2-9,11,13,16,22H,10,12,14-15H2,1H3,(H,29,32)(H,30,31).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide?
N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide has a molecular weight of 435.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide is sourced from PubChem (CID 46091673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).