N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide

C19H20FNO2 — CID 110607579

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-14-5-2-3-6-15(14)7-4-8-19(23)21-13-18(22)16-9-11-17(20)12-10-16/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,21,23)
InChIKeyMUORQFUAMLBMCY-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.46
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide

N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide (PubChem CID 110607579) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
PubChem CID110607579
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-14-5-2-3-6-15(14)7-4-8-19(23)21-13-18(22)16-9-11-17(20)12-10-16/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,21,23)
InChIKeyMUORQFUAMLBMCY-UHFFFAOYSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
CID 110410733
N-methoxy-4-(2-methylphenyl)butanamide
CID 110611839
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
4-(2-methylphenyl)butanamide
CID 22103596
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110606337
4-(4-iodophenyl)-N-[(2-methylphenyl)methyl]-4-oxobutanamide
CID 9104803
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide (CID 110607579) is N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide is Cc1ccccc1CCCC(=O)NCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide?
The InChIKey is MUORQFUAMLBMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-14-5-2-3-6-15(14)7-4-8-19(23)21-13-18(22)16-9-11-17(20)12-10-16/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide has a molecular weight of 313.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 110607579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).