4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

C14H16BrFN2O3 — CID 51127681

IUPAC4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1F)C(=O)N1CCOCC1
InChIInChI=1S/C14H16BrFN2O3/c1-9(14(20)18-4-6-21-7-5-18)17-13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,17,19)
InChIKeyHATXIFAYMOLJJQ-UHFFFAOYSA-N
MW359.20 g/mol
LogP1.57
Rot. Bonds3

About 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (PubChem CID 51127681) has the molecular formula C14H16BrFN2O3 and a molecular weight of 359.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
PubChem CID51127681
Molecular FormulaC14H16BrFN2O3
Molecular Weight359.20 g/mol
Exact Mass358.03
IUPAC Name4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1F)C(=O)N1CCOCC1
InChIInChI=1S/C14H16BrFN2O3/c1-9(14(20)18-4-6-21-7-5-18)17-13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,17,19)
InChIKeyHATXIFAYMOLJJQ-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (CID 51127681) is 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is CC(NC(=O)c1ccc(Br)cc1F)C(=O)N1CCOCC1.
What is the InChIKey of 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The InChIKey is HATXIFAYMOLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O3/c1-9(14(20)18-4-6-21-7-5-18)17-13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,17,19).
What are the key properties of 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide has a molecular weight of 359.20 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 51127681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).