3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide

C13H16BrFN2O2 — CID 103706316

IUPAC3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrFN2O2/c14-11-9-10(1-2-12(11)15)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)
InChIKeyKHQFRGNYKMEGJG-UHFFFAOYSA-N
MW331.19 g/mol
LogP1.65
Rot. Bonds4

About 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide

3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 103706316) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID103706316
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrFN2O2/c14-11-9-10(1-2-12(11)15)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18)
InChIKeyKHQFRGNYKMEGJG-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
1-(4-fluorobenzoyl)-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-6-carboxamide
CID 53160375
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-iodo-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 134052243
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
5-amino-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 43510748
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide (CID 103706316) is 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KHQFRGNYKMEGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c14-11-9-10(1-2-12(11)15)13(18)16-3-4-17-5-7-19-8-6-17/h1-2,9H,3-8H2,(H,16,18).
What are the key properties of 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide?
3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 331.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 103706316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).