N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide

C15H14F3NO2 — CID 4253008

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c1-10(9-13-3-2-8-21-13)19-14(20)11-4-6-12(7-5-11)15(16,17)18/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyXZZGFMSGPDWXDJ-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide

N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 4253008) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID4253008
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO2/c1-10(9-13-3-2-8-21-13)19-14(20)11-4-6-12(7-5-11)15(16,17)18/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyXZZGFMSGPDWXDJ-UHFFFAOYSA-N
XLogP3.66
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351272
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55738273
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
3-amino-N-[(2S)-1-(furan-2-yl)propan-2-yl]pyrazine-2-carboxamide
CID 94022829
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
CID 97020373

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide (CID 4253008) is N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide is CC(Cc1ccco1)NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is XZZGFMSGPDWXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-10(9-13-3-2-8-21-13)19-14(20)11-4-6-12(7-5-11)15(16,17)18/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide?
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 297.28 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4253008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).