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

C19H20FNO3 — CID 9413945

IUPACN-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H20FNO3/c1-2-13-24-15-9-7-14(8-10-15)18(22)11-12-19(23)21-17-6-4-3-5-16(17)20/h3-10H,2,11-13H2,1H3,(H,21,23)
InChIKeyOEAFQYSXEQYOLN-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.22
Rot. Bonds8

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

N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 9413945) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID9413945
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H20FNO3/c1-2-13-24-15-9-7-14(8-10-15)18(22)11-12-19(23)21-17-6-4-3-5-16(17)20/h3-10H,2,11-13H2,1H3,(H,21,23)
InChIKeyOEAFQYSXEQYOLN-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55551846
methyl 2-hydroxy-3-[[4-oxo-4-(4-propoxyphenyl)butanoyl]amino]benzoate
CID 56576231
1-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-3-(2-fluorophenyl)thiourea
CID 9468701
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
N-(2-fluorophenyl)butanamide
CID 849021
N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
3-(4-fluorophenoxy)-N-(2-propoxyphenyl)propanamide
CID 31997887
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide (CID 9413945) is N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is OEAFQYSXEQYOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-2-13-24-15-9-7-14(8-10-15)18(22)11-12-19(23)21-17-6-4-3-5-16(17)20/h3-10H,2,11-13H2,1H3,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide?
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 329.37 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 9413945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).