N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide

C21H19F2NO2 — CID 55889992

IUPACN-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
SMILESCC(CC(=O)N(Cc1ccco1)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C21H19F2NO2/c1-15(16-6-3-2-4-7-16)12-21(25)24(14-18-8-5-11-26-18)20-10-9-17(22)13-19(20)23/h2-11,13,15H,12,14H2,1H3
InChIKeyQLDIKFQOTTYPFQ-UHFFFAOYSA-N
MW355.38 g/mol
LogP5.28
Rot. Bonds6

About N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide

N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide (PubChem CID 55889992) has the molecular formula C21H19F2NO2 and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
PubChem CID55889992
Molecular FormulaC21H19F2NO2
Molecular Weight355.38 g/mol
Exact Mass355.14
IUPAC NameN-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
SMILESCC(CC(=O)N(Cc1ccco1)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C21H19F2NO2/c1-15(16-6-3-2-4-7-16)12-21(25)24(14-18-8-5-11-26-18)20-10-9-17(22)13-19(20)23/h2-11,13,15H,12,14H2,1H3
InChIKeyQLDIKFQOTTYPFQ-UHFFFAOYSA-N
XLogP5.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 55890384
N-(2,4-difluorophenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 55890509
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55889614
1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 71889559
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052958
5-(diethylsulfamoyl)-N-(2,4-difluorophenyl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 55888843
5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55888592
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 55889356
5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 75416181
N-(2,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 55889353
2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113178994

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide?
The IUPAC name of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide (CID 55889992) is N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide is CC(CC(=O)N(Cc1ccco1)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide?
The InChIKey is QLDIKFQOTTYPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO2/c1-15(16-6-3-2-4-7-16)12-21(25)24(14-18-8-5-11-26-18)20-10-9-17(22)13-19(20)23/h2-11,13,15H,12,14H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide?
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide has a molecular weight of 355.38 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide is sourced from PubChem (CID 55889992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).