N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

C20H22FNO3 — CID 18104964

IUPACN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c1-14-3-9-19(25-2)17(13-14)18(23)8-10-20(24)22-12-11-15-4-6-16(21)7-5-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)
InChIKeyBQMYEKNVINMXTK-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.46
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide

N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (PubChem CID 18104964) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
PubChem CID18104964
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
SMILESCOc1ccc(C)cc1C(=O)CCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/c1-14-3-9-19(25-2)17(13-14)18(23)8-10-20(24)22-12-11-15-4-6-16(21)7-5-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24)
InChIKeyBQMYEKNVINMXTK-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 2608525
4-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]butanoic acid
CID 108795993
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-(diethylamino)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796041
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18128266
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 4786393
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
2-(2-methoxy-5-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 18107479

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide (CID 18104964) is N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is COc1ccc(C)cc1C(=O)CCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
The InChIKey is BQMYEKNVINMXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-14-3-9-19(25-2)17(13-14)18(23)8-10-20(24)22-12-11-15-4-6-16(21)7-5-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide?
N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide has a molecular weight of 343.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 18104964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).