2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide

C19H21FN2O3 — CID 113174445

IUPAC2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H21FN2O3/c1-13(2)25-18-10-8-17(9-11-18)22(14(3)23)12-19(24)21-16-6-4-15(20)5-7-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyZHGYTRSHRQDNPB-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.60
Rot. Bonds6

About 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide

2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 113174445) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
PubChem CID113174445
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H21FN2O3/c1-13(2)25-18-10-8-17(9-11-18)22(14(3)23)12-19(24)21-16-6-4-15(20)5-7-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyZHGYTRSHRQDNPB-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 113174500
2-(N-acetyl-4-bromoanilino)-N-(4-fluorophenyl)acetamide
CID 113172995
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174499
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113174308
ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113178882
2-(N-acetyl-4-methoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113173591
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174433
2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide
CID 113174353
2-(N-acetyl-3,4-dimethylanilino)-N-(4-fluorophenyl)acetamide
CID 113168349
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide (CID 113174445) is 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)cc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is ZHGYTRSHRQDNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13(2)25-18-10-8-17(9-11-18)22(14(3)23)12-19(24)21-16-6-4-15(20)5-7-16/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide?
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113174445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).