N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide

C20H17BrFNO3 — CID 31215377

IUPACN-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C20H17BrFNO3/c1-23(12-14-4-2-3-5-18(14)21)20(24)19-11-10-17(26-19)13-25-16-8-6-15(22)7-9-16/h2-11H,12-13H2,1H3
InChIKeyYYQIYUHQUDSWDO-UHFFFAOYSA-N
MW418.26 g/mol
LogP5.03
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide

N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide (PubChem CID 31215377) has the molecular formula C20H17BrFNO3 and a molecular weight of 418.26 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
PubChem CID31215377
Molecular FormulaC20H17BrFNO3
Molecular Weight418.26 g/mol
Exact Mass417.04
IUPAC NameN-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C20H17BrFNO3/c1-23(12-14-4-2-3-5-18(14)21)20(24)19-11-10-17(26-19)13-25-16-8-6-15(22)7-9-16/h2-11H,12-13H2,1H3
InChIKeyYYQIYUHQUDSWDO-UHFFFAOYSA-N
XLogP5.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.26
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
CID 112726756
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451842
5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695820
N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119652390
N-(1H-benzimidazol-2-ylmethyl)-5-[(4-bromophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 55824074
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 55903829
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxyphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 86832598
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide (CID 31215377) is N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide is CN(Cc1ccccc1Br)C(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is YYQIYUHQUDSWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFNO3/c1-23(12-14-4-2-3-5-18(14)21)20(24)19-11-10-17(26-19)13-25-16-8-6-15(22)7-9-16/h2-11H,12-13H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 418.26 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 31215377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).