2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide

C23H19ClFNO3 — CID 112842045

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19ClFNO3/c1-15(27)20-13-19(25)10-11-21(20)29-14-22(28)26-23(16-6-3-2-4-7-16)17-8-5-9-18(24)12-17/h2-13,23H,14H2,1H3,(H,26,28)
InChIKeyQCIRIXJPMZGMKY-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.97
Rot. Bonds7

About 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide

2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide (PubChem CID 112842045) has the molecular formula C23H19ClFNO3 and a molecular weight of 411.86 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide
PubChem CID112842045
Molecular FormulaC23H19ClFNO3
Molecular Weight411.86 g/mol
Exact Mass411.10
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C23H19ClFNO3/c1-15(27)20-13-19(25)10-11-21(20)29-14-22(28)26-23(16-6-3-2-4-7-16)17-8-5-9-18(24)12-17/h2-13,23H,14H2,1H3,(H,26,28)
InChIKeyQCIRIXJPMZGMKY-UHFFFAOYSA-N
XLogP4.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-4-fluorophenoxy)-N-(3-methyl-1-phenylbutyl)acetamide
CID 112772148
N-[(3-chlorophenyl)-phenylmethyl]-2-(2-methoxyphenyl)acetamide
CID 55804403
2-[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethoxy]benzamide
CID 8851691
2-(2-bromo-4-chlorophenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 92679394
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691
2-(2-acetyl-4-fluorophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 17401947
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
N-[1-(3-chlorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 42989371
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 7787848
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
[2-(benzhydrylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619818

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide (CID 112842045) is 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide is CC(=O)c1cc(F)ccc1OCC(=O)NC(c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide?
The InChIKey is QCIRIXJPMZGMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO3/c1-15(27)20-13-19(25)10-11-21(20)29-14-22(28)26-23(16-6-3-2-4-7-16)17-8-5-9-18(24)12-17/h2-13,23H,14H2,1H3,(H,26,28).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide has a molecular weight of 411.86 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-[(3-chlorophenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 112842045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).