4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C20H19BrF4N2O2 — CID 60615350

IUPAC4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C20H19BrF4N2O2/c21-16-6-3-14(11-17(16)22)19(28)26-12-18(27-7-9-29-10-8-27)13-1-4-15(5-2-13)20(23,24)25/h1-6,11,18H,7-10,12H2,(H,26,28)
InChIKeyZYBQQZKVEBUMPR-UHFFFAOYSA-N
MW475.28 g/mol
LogP4.41
Rot. Bonds5

About 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 60615350) has the molecular formula C20H19BrF4N2O2 and a molecular weight of 475.28 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID60615350
Molecular FormulaC20H19BrF4N2O2
Molecular Weight475.28 g/mol
Exact Mass474.06
IUPAC Name4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESO=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C20H19BrF4N2O2/c21-16-6-3-14(11-17(16)22)19(28)26-12-18(27-7-9-29-10-8-27)13-1-4-15(5-2-13)20(23,24)25/h1-6,11,18H,7-10,12H2,(H,26,28)
InChIKeyZYBQQZKVEBUMPR-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60596930
2-amino-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
CID 119946956
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethoxy)benzamide
CID 43003559
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
4-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 55574889
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
(2R)-2-methylsulfanyl-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511637

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 60615350) is 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is ZYBQQZKVEBUMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrF4N2O2/c21-16-6-3-14(11-17(16)22)19(28)26-12-18(27-7-9-29-10-8-27)13-1-4-15(5-2-13)20(23,24)25/h1-6,11,18H,7-10,12H2,(H,26,28).
What are the key properties of 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 475.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 60615350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).