2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide

C29H25NO3 — CID 19938162

IUPAC2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C29H25NO3/c31-22-14-9-20(10-15-22)28(21-11-16-23(32)17-12-21)25-7-3-4-8-26(25)29(33)30-27-18-13-19-5-1-2-6-24(19)27/h1-12,14-17,27-28,31-32H,13,18H2,(H,30,33)
InChIKeyKJCFPEVMOMBAFU-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.70
Rot. Bonds5

About 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide

2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide (PubChem CID 19938162) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide.

Molecular Properties

Compound Name2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide
PubChem CID19938162
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC Name2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide
SMILESO=C(NC1CCc2ccccc21)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C29H25NO3/c31-22-14-9-20(10-15-22)28(21-11-16-23(32)17-12-21)25-7-3-4-8-26(25)29(33)30-27-18-13-19-5-1-2-6-24(19)27/h1-12,14-17,27-28,31-32H,13,18H2,(H,30,33)
InChIKeyKJCFPEVMOMBAFU-UHFFFAOYSA-N
XLogP5.70
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[bis(4-hydroxyphenyl)methyl]benzamide
CID 67780844
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
3-chloro-2-hydroxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
CID 138509822
N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 55460514
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide (CID 19938162) is 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide.
What is the SMILES notation for 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The canonical SMILES for 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide is O=C(NC1CCc2ccccc21)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
The InChIKey is KJCFPEVMOMBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3/c31-22-14-9-20(10-15-22)28(21-11-16-23(32)17-12-21)25-7-3-4-8-26(25)29(33)30-27-18-13-19-5-1-2-6-24(19)27/h1-12,14-17,27-28,31-32H,13,18H2,(H,30,33).
What are the key properties of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide?
2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide has a molecular weight of 435.52 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide is sourced from PubChem (CID 19938162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).