N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide

C21H24FNO4 — CID 110615942

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESCOc1ccc(CCNC(=O)CCCC(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C21H24FNO4/c1-26-18-11-8-16(20(14-18)27-2)12-13-23-21(25)5-3-4-19(24)15-6-9-17(22)10-7-15/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,25)
InChIKeyUIAQOZAGTMBRAT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.55
Rot. Bonds10

About N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide (PubChem CID 110615942) has the molecular formula C21H24FNO4 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
PubChem CID110615942
Molecular FormulaC21H24FNO4
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide
SMILESCOc1ccc(CCNC(=O)CCCC(=O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C21H24FNO4/c1-26-18-11-8-16(20(14-18)27-2)12-13-23-21(25)5-3-4-19(24)15-6-9-17(22)10-7-15/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,25)
InChIKeyUIAQOZAGTMBRAT-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168006
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-phenoxybutanamide
CID 110601484
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295
N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methylsulfonylpropanamide
CID 110607051
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 110297665
5-(4-fluorophenyl)-N-(3-methoxypropyl)-5-oxopentanamide
CID 110298068
2-cyano-N-[2-[2-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]ethyl]acetamide
CID 22682363
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
3-(2,4-dimethoxyphenyl)-1-(4-prop-2-enoxyphenyl)propan-1-one
CID 11558906
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide (CID 110615942) is N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide is COc1ccc(CCNC(=O)CCCC(=O)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
The InChIKey is UIAQOZAGTMBRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO4/c1-26-18-11-8-16(20(14-18)27-2)12-13-23-21(25)5-3-4-19(24)15-6-9-17(22)10-7-15/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide has a molecular weight of 373.42 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-5-(4-fluorophenyl)-5-oxopentanamide is sourced from PubChem (CID 110615942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).