N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

C22H21F2NO3 — CID 42921779

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NC(C)c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C22H21F2NO3/c1-14(19-10-5-16(23)13-20(19)24)25-22(26)12-9-18-8-11-21(28-18)15-3-6-17(27-2)7-4-15/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,25,26)
InChIKeyLQXOKXIFHBFHFY-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.04
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide

N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (PubChem CID 42921779) has the molecular formula C22H21F2NO3 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
PubChem CID42921779
Molecular FormulaC22H21F2NO3
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(CCC(=O)NC(C)c3ccc(F)cc3F)o2)cc1
InChIInChI=1S/C22H21F2NO3/c1-14(19-10-5-16(23)13-20(19)24)25-22(26)12-9-18-8-11-21(28-18)15-3-6-17(27-2)7-4-15/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,25,26)
InChIKeyLQXOKXIFHBFHFY-UHFFFAOYSA-N
XLogP5.04
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 42921818
3-[5-(4-methoxyphenyl)furan-2-yl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 26010955
N-[(1S)-1-(2,4-difluorophenyl)butyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 96541271
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 24597912
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 4972255
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 26082693
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 177351939
3-(4-chlorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]propanamide
CID 43035582
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide (CID 42921779) is N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is COc1ccc(-c2ccc(CCC(=O)NC(C)c3ccc(F)cc3F)o2)cc1.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
The InChIKey is LQXOKXIFHBFHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO3/c1-14(19-10-5-16(23)13-20(19)24)25-22(26)12-9-18-8-11-21(28-18)15-3-6-17(27-2)7-4-15/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,25,26).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide has a molecular weight of 385.41 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 42921779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).