N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide

C21H19NO3 — CID 4946343

IUPACN-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
SMILESCc1ccc(O)c(NC(=O)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C21H19NO3/c1-15-11-12-19(23)18(13-15)22-21(24)17-9-5-6-10-20(17)25-14-16-7-3-2-4-8-16/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyPZCYKRFCXYCBAO-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.53
Rot. Bonds5

About N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide

N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide (PubChem CID 4946343) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
PubChem CID4946343
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
SMILESCc1ccc(O)c(NC(=O)c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C21H19NO3/c1-15-11-12-19(23)18(13-15)22-21(24)17-9-5-6-10-20(17)25-14-16-7-3-2-4-8-16/h2-13,23H,14H2,1H3,(H,22,24)
InChIKeyPZCYKRFCXYCBAO-UHFFFAOYSA-N
XLogP4.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.53
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-hydroxyphenyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 25494578
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
2-ethoxy-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]benzamide
CID 4926717
2,5-dichloro-N-(4-methyl-2-phenylmethoxyphenyl)thiophene-3-carboxamide
CID 55888940
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide (CID 4946343) is N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide is Cc1ccc(O)c(NC(=O)c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide?
The InChIKey is PZCYKRFCXYCBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-15-11-12-19(23)18(13-15)22-21(24)17-9-5-6-10-20(17)25-14-16-7-3-2-4-8-16/h2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide?
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide has a molecular weight of 333.39 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 4946343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).