2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide

C28H25NO5 — CID 15296782

IUPAC2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C28H25NO5/c1-33-22-15-16-25(26(17-22)34-2)29-28(32)24-6-4-3-5-23(24)27(18-7-11-20(30)12-8-18)19-9-13-21(31)14-10-19/h3-17,27,30-31H,1-2H3,(H,29,32)
InChIKeyUKJOQFUIDQQUQV-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.55
Rot. Bonds7

About 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide

2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 15296782) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID15296782
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Name2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)c(OC)c1
InChIInChI=1S/C28H25NO5/c1-33-22-15-16-25(26(17-22)34-2)29-28(32)24-6-4-3-5-23(24)27(18-7-11-20(30)12-8-18)19-9-13-21(31)14-10-19/h3-17,27,30-31H,1-2H3,(H,29,32)
InChIKeyUKJOQFUIDQQUQV-UHFFFAOYSA-N
XLogP5.55
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
N-[2-[bis(4-hydroxyphenyl)methyl]phenyl]-3-methoxybenzamide
CID 19938149
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
CID 71346631
N-(2,4-dimethoxyphenyl)-2-ethylsulfonylbenzamide
CID 7603183
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
2-bromo-N-(2,4-dimethoxyphenyl)-3-methylbenzamide
CID 103852740
N-(2,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 18104674
N-[2-(1-bromoethyl)phenyl]-2-hydroxy-4-methoxybenzamide
CID 114315449
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide (CID 15296782) is 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2C(c2ccc(O)cc2)c2ccc(O)cc2)c(OC)c1.
What is the InChIKey of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is UKJOQFUIDQQUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-33-22-15-16-25(26(17-22)34-2)29-28(32)24-6-4-3-5-23(24)27(18-7-11-20(30)12-8-18)19-9-13-21(31)14-10-19/h3-17,27,30-31H,1-2H3,(H,29,32).
What are the key properties of 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide?
2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 455.51 g/mol, XLogP of 5.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-hydroxyphenyl)methyl]-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 15296782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).