4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide

C22H18FNO3 — CID 112787692

IUPAC4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
SMILESCC(=O)c1cc(F)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18FNO3/c1-15(25)20-13-18(23)11-12-21(20)27-14-16-7-9-17(10-8-16)22(26)24-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyAYLZEGUQFDIQLL-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.86
Rot. Bonds6

About 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide

4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide (PubChem CID 112787692) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
PubChem CID112787692
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide
SMILESCC(=O)c1cc(F)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H18FNO3/c1-15(25)20-13-18(23)11-12-21(20)27-14-16-7-9-17(10-8-16)22(26)24-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyAYLZEGUQFDIQLL-UHFFFAOYSA-N
XLogP4.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
1-[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 78906404
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[4-[(2-acetylphenoxy)methyl]phenyl]acetamide
CID 129038120
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
2-[(4-fluorophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 16550314
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
methyl 4-[(2-acetylphenoxy)methyl]benzoate
CID 9172369

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide?
The IUPAC name of 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide (CID 112787692) is 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide is CC(=O)c1cc(F)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide?
The InChIKey is AYLZEGUQFDIQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-15(25)20-13-18(23)11-12-21(20)27-14-16-7-9-17(10-8-16)22(26)24-19-5-3-2-4-6-19/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide?
4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide has a molecular weight of 363.39 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetyl-4-fluorophenoxy)methyl]-N-phenylbenzamide is sourced from PubChem (CID 112787692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).