N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide

C20H19FN2O3 — CID 2603934

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H19FN2O3/c1-2-23(13-19(24)22-12-14-7-9-16(21)10-8-14)20(25)18-11-15-5-3-4-6-17(15)26-18/h3-11H,2,12-13H2,1H3,(H,22,24)
InChIKeyVKDVPDUZCUUGLR-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.35
Rot. Bonds6

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide (PubChem CID 2603934) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide
PubChem CID2603934
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H19FN2O3/c1-2-23(13-19(24)22-12-14-7-9-16(21)10-8-14)20(25)18-11-15-5-3-4-6-17(15)26-18/h3-11H,2,12-13H2,1H3,(H,22,24)
InChIKeyVKDVPDUZCUUGLR-UHFFFAOYSA-N
XLogP3.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Abexinostat
CID 11749858
CL82198
CID 2777
Befuraline
CID 68664
N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 725640
Befuraline hydrochloride
CID 73346
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
3-((2-Benzofuranylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453439
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide (CID 2603934) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide?
The InChIKey is VKDVPDUZCUUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-2-23(13-19(24)22-12-14-7-9-16(21)10-8-14)20(25)18-11-15-5-3-4-6-17(15)26-18/h3-11H,2,12-13H2,1H3,(H,22,24).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-benzofuran-2-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.35, 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2603934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).