5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide

C19H19BrFN3O3 — CID 60566996

IUPAC5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1
InChIInChI=1S/C19H19BrFN3O3/c1-12(25)22-14-3-4-16(21)15(11-14)19(26)23-17-10-13(20)2-5-18(17)24-6-8-27-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyZIQJVYCNCJKYQI-UHFFFAOYSA-N
MW436.28 g/mol
LogP3.64
Rot. Bonds4

About 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide

5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide (PubChem CID 60566996) has the molecular formula C19H19BrFN3O3 and a molecular weight of 436.28 g/mol. Its IUPAC name is 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
PubChem CID60566996
Molecular FormulaC19H19BrFN3O3
Molecular Weight436.28 g/mol
Exact Mass435.06
IUPAC Name5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1
InChIInChI=1S/C19H19BrFN3O3/c1-12(25)22-14-3-4-16(21)15(11-14)19(26)23-17-10-13(20)2-5-18(17)24-6-8-27-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26)
InChIKeyZIQJVYCNCJKYQI-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
5-acetamido-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 60564562
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
5-bromo-2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 87042473
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
4-bromo-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092689
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(4-fluorophenyl)acetamide
CID 55363743

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
The IUPAC name of 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide (CID 60566996) is 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
The canonical SMILES for 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide is CC(=O)Nc1ccc(F)c(C(=O)Nc2cc(Br)ccc2N2CCOCC2)c1.
What is the InChIKey of 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
The InChIKey is ZIQJVYCNCJKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN3O3/c1-12(25)22-14-3-4-16(21)15(11-14)19(26)23-17-10-13(20)2-5-18(17)24-6-8-27-9-7-24/h2-5,10-11H,6-9H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide has a molecular weight of 436.28 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(5-bromo-2-morpholin-4-ylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 60566996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).