N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide

C21H24FNO3 — CID 110607212

IUPACN-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCCCCc2ccccc2F)c1
InChIInChI=1S/C21H24FNO3/c1-26-18-10-6-9-17(15-18)20(24)12-13-21(25)23-14-5-4-8-16-7-2-3-11-19(16)22/h2-3,6-7,9-11,15H,4-5,8,12-14H2,1H3,(H,23,25)
InChIKeyWAUGWSNFPYVLGP-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.94
Rot. Bonds10

About N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide

N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide (PubChem CID 110607212) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide
PubChem CID110607212
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC NameN-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)NCCCCc2ccccc2F)c1
InChIInChI=1S/C21H24FNO3/c1-26-18-10-6-9-17(15-18)20(24)12-13-21(25)23-14-5-4-8-16-7-2-3-11-19(16)22/h2-3,6-7,9-11,15H,4-5,8,12-14H2,1H3,(H,23,25)
InChIKeyWAUGWSNFPYVLGP-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
4-(3-methoxyphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-oxobutanamide
CID 110632475
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108926954
N-(2-anilino-2-oxoethyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110624279
4-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110411382
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110407479
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
4-(3,4-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-4-oxobutanamide
CID 9375029
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide (CID 110607212) is N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)NCCCCc2ccccc2F)c1.
What is the InChIKey of N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
The InChIKey is WAUGWSNFPYVLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-26-18-10-6-9-17(15-18)20(24)12-13-21(25)23-14-5-4-8-16-7-2-3-11-19(16)22/h2-3,6-7,9-11,15H,4-5,8,12-14H2,1H3,(H,23,25).
What are the key properties of N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide?
N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide has a molecular weight of 357.43 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110607212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).