2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide

C23H21FN2O3 — CID 113179217

IUPAC2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1F)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H21FN2O3/c1-17(27)26(16-23(28)25-15-18-9-5-6-12-20(18)24)21-13-7-8-14-22(21)29-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyBQVCXTXXSVVIMM-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.29
Rot. Bonds7

About 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide

2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113179217) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113179217
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1F)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H21FN2O3/c1-17(27)26(16-23(28)25-15-18-9-5-6-12-20(18)24)21-13-7-8-14-22(21)29-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyBQVCXTXXSVVIMM-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-phenoxyanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113179220
2-(N-acetyl-2-phenoxyanilino)-N-phenylacetamide
CID 113179233
2-(N-acetyl-2-phenoxyanilino)-N-tert-butylacetamide
CID 113179224
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
2-(N-acetyl-2-phenoxyanilino)-N-cycloheptylacetamide
CID 113179225
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113178572
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139
N-[(2,3-dimethoxyphenyl)methyl]-N-(2-phenoxyphenyl)acetamide
CID 71198512

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide (CID 113179217) is 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccccc1F)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is BQVCXTXXSVVIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-17(27)26(16-23(28)25-15-18-9-5-6-12-20(18)24)21-13-7-8-14-22(21)29-19-10-3-2-4-11-19/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide?
2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 392.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113179217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).