4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

C19H22BrFN2O2 — CID 55960708

IUPAC4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1Br
InChIInChI=1S/C19H22BrFN2O2/c1-12-17(18(20)13(2)25-12)19(24)22-16-7-9-23(10-8-16)11-14-3-5-15(21)6-4-14/h3-6,16H,7-11H2,1-2H3,(H,22,24)
InChIKeyYCMLSDIURFYEAQ-UHFFFAOYSA-N
MW409.30 g/mol
LogP4.19
Rot. Bonds4

About 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide

4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55960708) has the molecular formula C19H22BrFN2O2 and a molecular weight of 409.30 g/mol. Its IUPAC name is 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55960708
Molecular FormulaC19H22BrFN2O2
Molecular Weight409.30 g/mol
Exact Mass408.08
IUPAC Name4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1Br
InChIInChI=1S/C19H22BrFN2O2/c1-12-17(18(20)13(2)25-12)19(24)22-16-7-9-23(10-8-16)11-14-3-5-15(21)6-4-14/h3-6,16H,7-11H2,1-2H3,(H,22,24)
InChIKeyYCMLSDIURFYEAQ-UHFFFAOYSA-N
XLogP4.19
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
CID 71838282
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425
5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55959793
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
2-(4-bromo-2-methylphenyl)sulfanyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959675

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide (CID 55960708) is 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1Br.
What is the InChIKey of 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is YCMLSDIURFYEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrFN2O2/c1-12-17(18(20)13(2)25-12)19(24)22-16-7-9-23(10-8-16)11-14-3-5-15(21)6-4-14/h3-6,16H,7-11H2,1-2H3,(H,22,24).
What are the key properties of 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide?
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 409.30 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55960708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).