3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide

C17H18BrFN2O3 — CID 110621303

IUPAC3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCOCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H18BrFN2O3/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-2-1-5-24-16)21-3-6-23-7-4-21/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,20,22)
InChIKeyWGYNRLICESVFFM-UHFFFAOYSA-N
MW397.24 g/mol
LogP2.98
Rot. Bonds5

About 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide

3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 110621303) has the molecular formula C17H18BrFN2O3 and a molecular weight of 397.24 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID110621303
Molecular FormulaC17H18BrFN2O3
Molecular Weight397.24 g/mol
Exact Mass396.05
IUPAC Name3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCOCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C17H18BrFN2O3/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-2-1-5-24-16)21-3-6-23-7-4-21/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,20,22)
InChIKeyWGYNRLICESVFFM-UHFFFAOYSA-N
XLogP2.98
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 16809743
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-methylbenzamide;hydrochloride
CID 52984760
N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7217379
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
5-bromo-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 17490617
N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110621275
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 7217179
7-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 110621241
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 26819488
ethyl N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]carbamate
CID 112502966
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 110621303) is 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide is O=C(NCC(c1ccco1)N1CCOCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is WGYNRLICESVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3/c18-13-8-12(9-14(19)10-13)17(22)20-11-15(16-2-1-5-24-16)21-3-6-23-7-4-21/h1-2,5,8-10,15H,3-4,6-7,11H2,(H,20,22).
What are the key properties of 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide?
3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 397.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 110621303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).