4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide

C28H24N2O2 — CID 25155163

IUPAC4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C28H24N2O2/c31-27-15-14-23(21-6-2-1-3-7-21)16-26(27)29-28(32)22-12-10-20(11-13-22)17-30-18-24-8-4-5-9-25(24)19-30/h1-16,31H,17-19H2,(H,29,32)
InChIKeyKPXRTHNYFDRAGJ-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.83
Rot. Bonds5

About 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide

4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide (PubChem CID 25155163) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
PubChem CID25155163
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2Cc3ccccc3C2)cc1
InChIInChI=1S/C28H24N2O2/c31-27-15-14-23(21-6-2-1-3-7-21)16-26(27)29-28(32)22-12-10-20(11-13-22)17-30-18-24-8-4-5-9-25(24)19-30/h1-16,31H,17-19H2,(H,29,32)
InChIKeyKPXRTHNYFDRAGJ-UHFFFAOYSA-N
XLogP5.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide
CID 25159050
N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25159052
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]-2-(4-phenylphenyl)acetamide
CID 71583022
2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzoyl]amino]phenyl]acetic acid
CID 138811017
3-chloro-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 4592773
N-(2-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1208461
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid
CID 58508844
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 59736811
2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508690
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1202921
3-(3-benzamido-4-hydroxyphenyl)propanoic acid
CID 58017754

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The IUPAC name of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide (CID 25155163) is 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide.
What is the SMILES notation for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The canonical SMILES for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide is O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2Cc3ccccc3C2)cc1.
What is the InChIKey of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
The InChIKey is KPXRTHNYFDRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-27-15-14-23(21-6-2-1-3-7-21)16-26(27)29-28(32)22-12-10-20(11-13-22)17-30-18-24-8-4-5-9-25(24)19-30/h1-16,31H,17-19H2,(H,29,32).
What are the key properties of 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide?
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide has a molecular weight of 420.51 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide is sourced from PubChem (CID 25155163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).