1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one

C15H15F2NO2 — CID 62052958

IUPAC1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N(C)Cc1ccco1
InChIInChI=1S/C15H15F2NO2/c1-10(18(2)9-12-4-3-7-20-12)15(19)13-6-5-11(16)8-14(13)17/h3-8,10H,9H2,1-2H3
InChIKeySAHPKZIMLSNPTH-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.26
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one

1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one (PubChem CID 62052958) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
PubChem CID62052958
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)N(C)Cc1ccco1
InChIInChI=1S/C15H15F2NO2/c1-10(18(2)9-12-4-3-7-20-12)15(19)13-6-5-11(16)8-14(13)17/h3-8,10H,9H2,1-2H3
InChIKeySAHPKZIMLSNPTH-UHFFFAOYSA-N
XLogP3.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methyl)amino]-1-(2,4-difluorophenyl)propan-1-one
CID 62051545
1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052574
1-(2,4-difluorophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]propan-1-one
CID 81057731
2,4-difluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798707
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 114014604
N-(2-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 43526612
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
CID 55889992
(2R)-N-(2,4-dichlorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9334007
(2S)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 93208709
1-(2,4-difluorophenyl)-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795408
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one (CID 62052958) is 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one is CC(C(=O)c1ccc(F)cc1F)N(C)Cc1ccco1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The InChIKey is SAHPKZIMLSNPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-10(18(2)9-12-4-3-7-20-12)15(19)13-6-5-11(16)8-14(13)17/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one?
1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one has a molecular weight of 279.29 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 62052958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).