5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

C16H16BrFN2O3 — CID 27821732

IUPAC5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C16H16BrFN2O3/c1-2-20(16(22)13-7-8-14(17)23-13)10-15(21)19-9-11-3-5-12(18)6-4-11/h3-8H,2,9-10H2,1H3,(H,19,21)
InChIKeyFJVBGISCLJUUMK-UHFFFAOYSA-N
MW383.22 g/mol
LogP2.96
Rot. Bonds6

About 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 27821732) has the molecular formula C16H16BrFN2O3 and a molecular weight of 383.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID27821732
Molecular FormulaC16H16BrFN2O3
Molecular Weight383.22 g/mol
Exact Mass382.03
IUPAC Name5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C16H16BrFN2O3/c1-2-20(16(22)13-7-8-14(17)23-13)10-15(21)19-9-11-3-5-12(18)6-4-11/h3-8H,2,9-10H2,1H3,(H,19,21)
InChIKeyFJVBGISCLJUUMK-UHFFFAOYSA-N
XLogP2.96
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075
3-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-methylindole-2-carboxamide
CID 55790270
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573758
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
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 27821732) is 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FJVBGISCLJUUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3/c1-2-20(16(22)13-7-8-14(17)23-13)10-15(21)19-9-11-3-5-12(18)6-4-11/h3-8H,2,9-10H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 383.22 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 27821732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).