5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide

C20H20BrF3N2O3 — CID 55790893

IUPAC5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C20H20BrF3N2O3/c21-17-9-8-16(29-17)19(28)26-14-6-4-12(5-7-14)10-18(27)25-15-3-1-2-13(11-15)20(22,23)24/h4-9,13,15H,1-3,10-11H2,(H,25,27)(H,26,28)
InChIKeyHJRYSJKOOVEXEC-UHFFFAOYSA-N
MW473.29 g/mol
LogP5.07
Rot. Bonds5

About 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide (PubChem CID 55790893) has the molecular formula C20H20BrF3N2O3 and a molecular weight of 473.29 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide
PubChem CID55790893
Molecular FormulaC20H20BrF3N2O3
Molecular Weight473.29 g/mol
Exact Mass472.06
IUPAC Name5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide
SMILESO=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C20H20BrF3N2O3/c21-17-9-8-16(29-17)19(28)26-14-6-4-12(5-7-14)10-18(27)25-15-3-1-2-13(11-15)20(22,23)24/h4-9,13,15H,1-3,10-11H2,(H,25,27)(H,26,28)
InChIKeyHJRYSJKOOVEXEC-UHFFFAOYSA-N
XLogP5.07
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.29
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-bromo-N-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 60543526
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
5-bromo-N-[4-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55842324
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 86918559
5-bromo-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55851418
N-[(5-bromofuran-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747402
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
5-bromo-N-[4-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 112834235
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide (CID 55790893) is 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide is O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide?
The InChIKey is HJRYSJKOOVEXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrF3N2O3/c21-17-9-8-16(29-17)19(28)26-14-6-4-12(5-7-14)10-18(27)25-15-3-1-2-13(11-15)20(22,23)24/h4-9,13,15H,1-3,10-11H2,(H,25,27)(H,26,28).
What are the key properties of 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide has a molecular weight of 473.29 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-oxo-2-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55790893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).