2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide

C23H29FN2O2 — CID 113178572

IUPAC2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1F)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H29FN2O2/c1-15(2)19-10-8-11-20(16(3)4)23(19)26(17(5)27)14-22(28)25-13-18-9-6-7-12-21(18)24/h6-12,15-16H,13-14H2,1-5H3,(H,25,28)
InChIKeyRSTGOICGQZDMGK-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.74
Rot. Bonds7

About 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113178572) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113178572
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccccc1F)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H29FN2O2/c1-15(2)19-10-8-11-20(16(3)4)23(19)26(17(5)27)14-22(28)25-13-18-9-6-7-12-21(18)24/h6-12,15-16H,13-14H2,1-5H3,(H,25,28)
InChIKeyRSTGOICGQZDMGK-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-4-ethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113169236
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113181475
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]-2-(2-methylphenyl)acetamide
CID 113063126
2-(N-acetyl-2-phenoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 113179217
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113181770
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113133128
2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113158508
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide (CID 113178572) is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccccc1F)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is RSTGOICGQZDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-15(2)19-10-8-11-20(16(3)4)23(19)26(17(5)27)14-22(28)25-13-18-9-6-7-12-21(18)24/h6-12,15-16H,13-14H2,1-5H3,(H,25,28).
What are the key properties of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 384.50 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113178572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).