N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

C18H18FNO4 — CID 51159707

IUPACN-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCOc1ccc(OC)c(NC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO4/c1-23-14-7-9-17(24-2)15(11-14)20-18(22)10-8-16(21)12-3-5-13(19)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,20,22)
InChIKeyWNROFFCFOSJGKR-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.44
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 51159707) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID51159707
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCOc1ccc(OC)c(NC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H18FNO4/c1-23-14-7-9-17(24-2)15(11-14)20-18(22)10-8-16(21)12-3-5-13(19)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,20,22)
InChIKeyWNROFFCFOSJGKR-UHFFFAOYSA-N
XLogP3.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethoxybenzoic acid
CID 108795600
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
4-(4-fluorophenyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 24636041
N-(2,5-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110422934
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
methyl 4-(5-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 110776545
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-fluorobenzamide
CID 924135
5-chloro-4-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-2-methoxybenzoic acid
CID 108807047

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 51159707) is N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is COc1ccc(OC)c(NC(=O)CCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is WNROFFCFOSJGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-23-14-7-9-17(24-2)15(11-14)20-18(22)10-8-16(21)12-3-5-13(19)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 331.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 51159707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).