3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide

C12H14BrFN2O2 — CID 107956293

IUPAC3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
SMILESO=C(NCC1CNCCO1)c1cccc(Br)c1F
InChIInChI=1S/C12H14BrFN2O2/c13-10-3-1-2-9(11(10)14)12(17)16-7-8-6-15-4-5-18-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyBJNXSJGVGCWPTP-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.31
Rot. Bonds3

About 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide

3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 107956293) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
PubChem CID107956293
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
SMILESO=C(NCC1CNCCO1)c1cccc(Br)c1F
InChIInChI=1S/C12H14BrFN2O2/c13-10-3-1-2-9(11(10)14)12(17)16-7-8-6-15-4-5-18-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyBJNXSJGVGCWPTP-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287115
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
7-bromo-N-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 115323833
2-(difluoromethoxy)-N-(morpholin-2-ylmethyl)benzamide
CID 43602974
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
4-chloro-2,5-difluoro-N-(morpholin-2-ylmethyl)benzamide
CID 82772508
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
5-chloro-2-hydroxy-N-(morpholin-2-ylmethyl)benzamide
CID 115323836
3-fluoro-4-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 43603078
4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide
CID 128876488
2-(2-methylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 43602980
N-(morpholin-2-ylmethyl)pyridazine-4-carboxamide
CID 104671734

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide (CID 107956293) is 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide is O=C(NCC1CNCCO1)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide?
The InChIKey is BJNXSJGVGCWPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c13-10-3-1-2-9(11(10)14)12(17)16-7-8-6-15-4-5-18-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide?
3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 317.16 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 107956293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).