N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

C17H19FN2O3 — CID 18113075

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C
InChIInChI=1S/C17H19FN2O3/c1-3-20(17(22)15-8-9-23-12(15)2)11-16(21)19-10-13-4-6-14(18)7-5-13/h4-9H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyWJTSGYVNDFFHSX-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.51
Rot. Bonds6

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 18113075) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID18113075
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C
InChIInChI=1S/C17H19FN2O3/c1-3-20(17(22)15-8-9-23-12(15)2)11-16(21)19-10-13-4-6-14(18)7-5-13/h4-9H,3,10-11H2,1-2H3,(H,19,21)
InChIKeyWJTSGYVNDFFHSX-UHFFFAOYSA-N
XLogP2.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzylamino)-3-oxopropyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 5127775
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 18079934
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31764003
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17489195
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylfuran-3-carboxamide
CID 47013464
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 18113075) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is WJTSGYVNDFFHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-3-20(17(22)15-8-9-23-12(15)2)11-16(21)19-10-13-4-6-14(18)7-5-13/h4-9H,3,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 18113075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).