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

C20H17FN2O4 — CID 55903829

IUPACN-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H17FN2O4/c1-23(15-6-2-13(3-7-15)19(22)24)20(25)18-11-10-17(27-18)12-26-16-8-4-14(21)5-9-16/h2-11H,12H2,1H3,(H2,22,24)
InChIKeyWWTMLPLLERDSAR-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.37
Rot. Bonds6

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

N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide (PubChem CID 55903829) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
PubChem CID55903829
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C20H17FN2O4/c1-23(15-6-2-13(3-7-15)19(22)24)20(25)18-11-10-17(27-18)12-26-16-8-4-14(21)5-9-16/h2-11H,12H2,1H3,(H2,22,24)
InChIKeyWWTMLPLLERDSAR-UHFFFAOYSA-N
XLogP3.37
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(phenoxymethyl)-N-phenylfuran-2-carboxamide
CID 31529020
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
N-(3-amino-2,2-dimethylpropyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119652390
5-[(4-fluorophenoxy)methyl]-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695820
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
3-[ethyl-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119190923
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789677
N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
5-[(4-fluorophenoxy)methyl]-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119549878
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43072047

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide (CID 55903829) is N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is WWTMLPLLERDSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-23(15-6-2-13(3-7-15)19(22)24)20(25)18-11-10-17(27-18)12-26-16-8-4-14(21)5-9-16/h2-11H,12H2,1H3,(H2,22,24).
What are the key properties of N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide?
N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55903829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).