N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C17H18BrFN2O2 — CID 19415916

IUPACN-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C17H18BrFN2O2/c18-12-4-6-15(14(19)10-12)20-17(22)16-7-5-13(23-16)11-21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,11H2,(H,20,22)
InChIKeyDXXMOLCMMISHPJ-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.42
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19415916) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19415916
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C17H18BrFN2O2/c18-12-4-6-15(14(19)10-12)20-17(22)16-7-5-13(23-16)11-21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,11H2,(H,20,22)
InChIKeyDXXMOLCMMISHPJ-UHFFFAOYSA-N
XLogP4.42
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416022
N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
N-[2-(ethylamino)-4-methylphenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 136559576
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
N-(4-bromo-2-fluorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46770290
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-(4-bromo-2-fluorophenyl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19465375
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19415916) is N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCCC2)o1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is DXXMOLCMMISHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O2/c18-12-4-6-15(14(19)10-12)20-17(22)16-7-5-13(23-16)11-21-8-2-1-3-9-21/h4-7,10H,1-3,8-9,11H2,(H,20,22).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 381.25 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19415916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).