2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide

C16H16FNO2 — CID 58272158

IUPAC2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide
SMILESCc1cc(O)ccc1N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11-9-14(19)7-8-15(11)18(2)16(20)10-12-3-5-13(17)6-4-12/h3-9,19H,10H2,1-2H3
InChIKeyVNPJBSZNAZDUJV-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide

2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide (PubChem CID 58272158) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide
PubChem CID58272158
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide
SMILESCc1cc(O)ccc1N(C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-11-9-14(19)7-8-15(11)18(2)16(20)10-12-3-5-13(17)6-4-12/h3-9,19H,10H2,1-2H3
InChIKeyVNPJBSZNAZDUJV-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(N,3-dimethylanilino)-2-oxoethyl]phenyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 57214135
2-(4-fluorophenyl)-N-methyl-N-quinoxalin-6-ylacetamide
CID 110869504
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62500171
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027756
2-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476089
N-(4-fluorophenyl)-N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787902
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
N-(1-aminopropan-2-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 115733563

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide (CID 58272158) is 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide is Cc1cc(O)ccc1N(C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide?
The InChIKey is VNPJBSZNAZDUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-9-14(19)7-8-15(11)18(2)16(20)10-12-3-5-13(17)6-4-12/h3-9,19H,10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide?
2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide has a molecular weight of 273.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-hydroxy-2-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 58272158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).