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

C20H18FNO3 — CID 51147848

IUPACN-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C20H18FNO3/c1-22(13-15-5-3-2-4-6-15)20(23)19-12-11-18(25-19)14-24-17-9-7-16(21)8-10-17/h2-12H,13-14H2,1H3
InChIKeyHCMRWOMCRIXMOL-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.27
Rot. Bonds6

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

N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide (PubChem CID 51147848) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
PubChem CID51147848
Molecular FormulaC20H18FNO3
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC NameN-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C20H18FNO3/c1-22(13-15-5-3-2-4-6-15)20(23)19-12-11-18(25-19)14-24-17-9-7-16(21)8-10-17/h2-12H,13-14H2,1H3
InChIKeyHCMRWOMCRIXMOL-UHFFFAOYSA-N
XLogP4.27
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
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-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19451842
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46814083
N-methyl-5-(phenoxymethyl)-N-phenylfuran-2-carboxamide
CID 31529020
3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119190923
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-[2-(4-fluorophenyl)ethyl]-5-[(2-methoxyphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 86832598

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide (CID 51147848) is N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is HCMRWOMCRIXMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-22(13-15-5-3-2-4-6-15)20(23)19-12-11-18(25-19)14-24-17-9-7-16(21)8-10-17/h2-12H,13-14H2,1H3.
What are the key properties of N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 51147848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).