N-[(4-methylphenyl)methyl]-4-phenoxybenzamide

C21H19NO2 — CID 7916852

IUPACN-[(4-methylphenyl)methyl]-4-phenoxybenzamide
SMILESCc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c1-16-7-9-17(10-8-16)15-22-21(23)18-11-13-20(14-12-18)24-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,22,23)
InChIKeyZMFAZMUZJXZNMY-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.72
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-phenoxybenzamide

N-[(4-methylphenyl)methyl]-4-phenoxybenzamide (PubChem CID 7916852) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-phenoxybenzamide
PubChem CID7916852
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC NameN-[(4-methylphenyl)methyl]-4-phenoxybenzamide
SMILESCc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H19NO2/c1-16-7-9-17(10-8-16)15-22-21(23)18-11-13-20(14-12-18)24-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,22,23)
InChIKeyZMFAZMUZJXZNMY-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide
CID 44129648
Pxs-4728A
CID 71812246
Benzamide, 4-methoxy-N-(3-(4-morpholinyl)propyl)-
CID 95240
4-(4-((Phenethylamino)methyl)phenoxy)benzamide
CID 44434950
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-(4-methoxyphenethyl)benzamide
CID 3083797
4-Ethoxy-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2850672
N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide
CID 710674

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-phenoxybenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-phenoxybenzamide (CID 7916852) is N-[(4-methylphenyl)methyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-phenoxybenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-phenoxybenzamide is Cc1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-phenoxybenzamide?
The InChIKey is ZMFAZMUZJXZNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-16-7-9-17(10-8-16)15-22-21(23)18-11-13-20(14-12-18)24-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of N-[(4-methylphenyl)methyl]-4-phenoxybenzamide?
N-[(4-methylphenyl)methyl]-4-phenoxybenzamide has a molecular weight of 317.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-phenoxybenzamide is sourced from PubChem (CID 7916852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).