2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C21H23BrFN3O3 — CID 55388550

IUPAC2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C21H23BrFN3O3/c1-2-25(21(28)18-8-3-15(23)13-19(18)22)14-20(27)24-16-4-6-17(7-5-16)26-9-11-29-12-10-26/h3-8,13H,2,9-12,14H2,1H3,(H,24,27)
InChIKeyBWCFOQHQUSIVIN-UHFFFAOYSA-N
MW464.34 g/mol
LogP3.53
Rot. Bonds6

About 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 55388550) has the molecular formula C21H23BrFN3O3 and a molecular weight of 464.34 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID55388550
Molecular FormulaC21H23BrFN3O3
Molecular Weight464.34 g/mol
Exact Mass463.09
IUPAC Name2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1Br
InChIInChI=1S/C21H23BrFN3O3/c1-2-25(21(28)18-8-3-15(23)13-19(18)22)14-20(27)24-16-4-6-17(7-5-16)26-9-11-29-12-10-26/h3-8,13H,2,9-12,14H2,1H3,(H,24,27)
InChIKeyBWCFOQHQUSIVIN-UHFFFAOYSA-N
XLogP3.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51230349
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
CID 55342172
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-nitrobenzamide
CID 8960451
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
N-ethyl-3,7-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 60567089
5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 55380606

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 55388550) is 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is BWCFOQHQUSIVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrFN3O3/c1-2-25(21(28)18-8-3-15(23)13-19(18)22)14-20(27)24-16-4-6-17(7-5-16)26-9-11-29-12-10-26/h3-8,13H,2,9-12,14H2,1H3,(H,24,27).
What are the key properties of 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 464.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55388550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).