4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide

C15H13BrF3NO2 — CID 175265270

IUPAC4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)co1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13BrF3NO2/c1-2-12(20-14(21)13-7-9(16)8-22-13)10-5-3-4-6-11(10)15(17,18)19/h3-8,12H,2H2,1H3,(H,20,21)
InChIKeyQWEVEZCRUKHMLR-UHFFFAOYSA-N
MW376.17 g/mol
LogP4.94
Rot. Bonds4

About 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide

4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide (PubChem CID 175265270) has the molecular formula C15H13BrF3NO2 and a molecular weight of 376.17 g/mol. Its IUPAC name is 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide
PubChem CID175265270
Molecular FormulaC15H13BrF3NO2
Molecular Weight376.17 g/mol
Exact Mass375.01
IUPAC Name4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1cc(Br)co1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13BrF3NO2/c1-2-12(20-14(21)13-7-9(16)8-22-13)10-5-3-4-6-11(10)15(17,18)19/h3-8,12H,2H2,1H3,(H,20,21)
InChIKeyQWEVEZCRUKHMLR-UHFFFAOYSA-N
XLogP4.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N-[1-[2-(trifluoromethyl)phenyl]propyl]aniline
CID 15399389
N-[2-methylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154491929
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 138053674
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 138024674
(3S)-3-[(2,2,2-trifluoroacetyl)amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 167716256
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
[2-(ethylsulfonylamino)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamic acid
CID 68646243
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 138052493
5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 113432279
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide (CID 175265270) is 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide is CCC(NC(=O)c1cc(Br)co1)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide?
The InChIKey is QWEVEZCRUKHMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3NO2/c1-2-12(20-14(21)13-7-9(16)8-22-13)10-5-3-4-6-11(10)15(17,18)19/h3-8,12H,2H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide?
4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide has a molecular weight of 376.17 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide is sourced from PubChem (CID 175265270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).