5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C17H16BrF3N2O2 — CID 1288515

IUPAC5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C17H16BrF3N2O2/c18-15-7-6-14(25-15)16(24)22-12-10-11(17(19,20)21)4-5-13(12)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2,(H,22,24)
InChIKeyNWXJYIVIBMTGCM-UHFFFAOYSA-N
MW417.23 g/mol
LogP5.30
Rot. Bonds3

About 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide

5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 1288515) has the molecular formula C17H16BrF3N2O2 and a molecular weight of 417.23 g/mol. Its IUPAC name is 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID1288515
Molecular FormulaC17H16BrF3N2O2
Molecular Weight417.23 g/mol
Exact Mass416.03
IUPAC Name5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C17H16BrF3N2O2/c18-15-7-6-14(25-15)16(24)22-12-10-11(17(19,20)21)4-5-13(12)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2,(H,22,24)
InChIKeyNWXJYIVIBMTGCM-UHFFFAOYSA-N
XLogP5.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.23
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(methylsulfamoyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55676456
5-methylsulfonyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86944084
2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
5-bromo-N-(5-methoxy-2-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 6496960
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
2-iodo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067749
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 4855837
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
5-bromo-N-(4-morpholin-4-yl-2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 137370573
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
5-bromo-N-[5-(morpholin-2-ylmethyl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 175010773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 1288515) is 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is NWXJYIVIBMTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF3N2O2/c18-15-7-6-14(25-15)16(24)22-12-10-11(17(19,20)21)4-5-13(12)23-8-2-1-3-9-23/h4-7,10H,1-3,8-9H2,(H,22,24).
What are the key properties of 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 417.23 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1288515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).