N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide

C22H19NO3 — CID 16650962

IUPACN-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-15-4-3-5-21(14-15)26-20-12-8-18(9-13-20)22(25)23-19-10-6-17(7-11-19)16(2)24/h3-14H,1-2H3,(H,23,25)
InChIKeyAKZGTGGCFPONJA-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.24
Rot. Bonds5

About N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide

N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide (PubChem CID 16650962) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
PubChem CID16650962
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H19NO3/c1-15-4-3-5-21(14-15)26-20-12-8-18(9-13-20)22(25)23-19-10-6-17(7-11-19)16(2)24/h3-14H,1-2H3,(H,23,25)
InChIKeyAKZGTGGCFPONJA-UHFFFAOYSA-N
XLogP5.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
3-bromo-4-methoxy-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 7603354
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954
N-(2,3-dimethylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650988

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide?
The IUPAC name of N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide (CID 16650962) is N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide is CC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide?
The InChIKey is AKZGTGGCFPONJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-15-4-3-5-21(14-15)26-20-12-8-18(9-13-20)22(25)23-19-10-6-17(7-11-19)16(2)24/h3-14H,1-2H3,(H,23,25).
What are the key properties of N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide?
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide has a molecular weight of 345.40 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide is sourced from PubChem (CID 16650962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).