N-(3-methylphenyl)-4-phenoxybenzamide

C20H17NO2 — CID 7946520

IUPACN-(3-methylphenyl)-4-phenoxybenzamide
SMILESCc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H17NO2/c1-15-6-5-7-17(14-15)21-20(22)16-10-12-19(13-11-16)23-18-8-3-2-4-9-18/h2-14H,1H3,(H,21,22)
InChIKeyHZBSSWUMXAPMGB-UHFFFAOYSA-N
MW303.36 g/mol
LogP5.04
Rot. Bonds4

About N-(3-methylphenyl)-4-phenoxybenzamide

N-(3-methylphenyl)-4-phenoxybenzamide (PubChem CID 7946520) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-phenoxybenzamide
PubChem CID7946520
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC NameN-(3-methylphenyl)-4-phenoxybenzamide
SMILESCc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C20H17NO2/c1-15-6-5-7-17(14-15)21-20(22)16-10-12-19(13-11-16)23-18-8-3-2-4-9-18/h2-14H,1H3,(H,21,22)
InChIKeyHZBSSWUMXAPMGB-UHFFFAOYSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-phenoxybenzamide?
The IUPAC name of N-(3-methylphenyl)-4-phenoxybenzamide (CID 7946520) is N-(3-methylphenyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(3-methylphenyl)-4-phenoxybenzamide?
The canonical SMILES for N-(3-methylphenyl)-4-phenoxybenzamide is Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-phenoxybenzamide?
The InChIKey is HZBSSWUMXAPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-15-6-5-7-17(14-15)21-20(22)16-10-12-19(13-11-16)23-18-8-3-2-4-9-18/h2-14H,1H3,(H,21,22).
What are the key properties of N-(3-methylphenyl)-4-phenoxybenzamide?
N-(3-methylphenyl)-4-phenoxybenzamide has a molecular weight of 303.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-phenoxybenzamide is sourced from PubChem (CID 7946520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).