4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide

C19H20BrF2N3O2 — CID 133423563

IUPAC4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H20BrF2N3O2/c20-13-9-15(22)18(19(23)26)16(10-13)24-11-17(25-5-7-27-8-6-25)12-1-3-14(21)4-2-12/h1-4,9-10,17,24H,5-8,11H2,(H2,23,26)
InChIKeySQRUHVNQHYGKPS-UHFFFAOYSA-N
MW440.29 g/mol
LogP3.31
Rot. Bonds6

About 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide

4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide (PubChem CID 133423563) has the molecular formula C19H20BrF2N3O2 and a molecular weight of 440.29 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide
PubChem CID133423563
Molecular FormulaC19H20BrF2N3O2
Molecular Weight440.29 g/mol
Exact Mass439.07
IUPAC Name4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide
SMILESNC(=O)c1c(F)cc(Br)cc1NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C19H20BrF2N3O2/c20-13-9-15(22)18(19(23)26)16(10-13)24-11-17(25-5-7-27-8-6-25)12-1-3-14(21)4-2-12/h1-4,9-10,17,24H,5-8,11H2,(H2,23,26)
InChIKeySQRUHVNQHYGKPS-UHFFFAOYSA-N
XLogP3.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 94332656
1-[2-[[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]amino]-6-fluorophenyl]ethanone
CID 133276893
2,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 92787138
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-4-nitrobenzonitrile
CID 133478177
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
[5-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 55883877

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide (CID 133423563) is 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide is NC(=O)c1c(F)cc(Br)cc1NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide?
The InChIKey is SQRUHVNQHYGKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF2N3O2/c20-13-9-15(22)18(19(23)26)16(10-13)24-11-17(25-5-7-27-8-6-25)12-1-3-14(21)4-2-12/h1-4,9-10,17,24H,5-8,11H2,(H2,23,26).
What are the key properties of 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide?
4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide has a molecular weight of 440.29 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzamide is sourced from PubChem (CID 133423563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).