N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C21H19FN2O4 — CID 46474685

IUPACN-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H19FN2O4/c1-24(13-15-7-9-16(22)10-8-15)20(25)14-28-18-5-2-4-17(12-18)23-21(26)19-6-3-11-27-19/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyNFDQXUVYPGBIPG-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.71
Rot. Bonds7

About N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 46474685) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID46474685
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC NameN-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C21H19FN2O4/c1-24(13-15-7-9-16(22)10-8-15)20(25)14-28-18-5-2-4-17(12-18)23-21(26)19-6-3-11-27-19/h2-12H,13-14H2,1H3,(H,23,26)
InChIKeyNFDQXUVYPGBIPG-UHFFFAOYSA-N
XLogP3.71
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616404
N-[3-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616521
N-[3-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119655116
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839
3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-propan-2-ylamino]propanoic acid
CID 119206961
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55521763
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-[2-[2-(ethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86821930

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 46474685) is N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is NFDQXUVYPGBIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-24(13-15-7-9-16(22)10-8-15)20(25)14-28-18-5-2-4-17(12-18)23-21(26)19-6-3-11-27-19/h2-12H,13-14H2,1H3,(H,23,26).
What are the key properties of N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46474685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).