N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide

C21H23FN2O4 — CID 55551846

IUPACN-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2cc(NC(C)=O)ccc2F)cc1
InChIInChI=1S/C21H23FN2O4/c1-3-12-28-17-7-4-15(5-8-17)20(26)10-11-21(27)24-19-13-16(23-14(2)25)6-9-18(19)22/h4-9,13H,3,10-12H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyLYZANWINDCHPDK-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.17
Rot. Bonds9

About N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide

N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 55551846) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID55551846
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2cc(NC(C)=O)ccc2F)cc1
InChIInChI=1S/C21H23FN2O4/c1-3-12-28-17-7-4-15(5-8-17)20(26)10-11-21(27)24-19-13-16(23-14(2)25)6-9-18(19)22/h4-9,13H,3,10-12H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyLYZANWINDCHPDK-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945
N-(2-acetamido-5-chlorophenyl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 60605434
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977
N-(1,3-benzodioxol-5-yl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9313911
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
N-(5-acetamido-2-fluorophenyl)-4-(2-ethoxyphenoxy)butanamide
CID 55552164
N-(5-acetamido-2-fluorophenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 134019498

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide (CID 55551846) is N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)Nc2cc(NC(C)=O)ccc2F)cc1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is LYZANWINDCHPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-3-12-28-17-7-4-15(5-8-17)20(26)10-11-21(27)24-19-13-16(23-14(2)25)6-9-18(19)22/h4-9,13H,3,10-12H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 386.42 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55551846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).