N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C17H19BrN2O2 — CID 35332804

IUPACN-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C17H19BrN2O2/c18-14-6-2-3-7-15(14)19-17(21)16-9-8-13(22-16)12-20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-12H2,(H,19,21)
InChIKeyIRSLFJYRUXCBKC-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.28
Rot. Bonds4

About N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 35332804) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID35332804
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC NameN-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C17H19BrN2O2/c18-14-6-2-3-7-15(14)19-17(21)16-9-8-13(22-16)12-20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-12H2,(H,19,21)
InChIKeyIRSLFJYRUXCBKC-UHFFFAOYSA-N
XLogP4.28
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415916
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957
N-(1-methylpyrazol-3-yl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416098
N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
N-[2-(ethylamino)-4-methylphenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 136559576
5-[(2-oxo-1-pyridinyl)methyl]-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 60549570
methyl 1-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19414239

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 35332804) is N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is O=C(Nc1ccccc1Br)c1ccc(CN2CCCCC2)o1.
What is the InChIKey of N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is IRSLFJYRUXCBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c18-14-6-2-3-7-15(14)19-17(21)16-9-8-13(22-16)12-20-10-4-1-5-11-20/h2-3,6-9H,1,4-5,10-12H2,(H,19,21).
What are the key properties of N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 35332804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).