2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide

C14H18BrFN2O2 — CID 71990927

IUPAC2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O2/c15-9-4-5-11(12(16)7-9)13(14(17)19)18-8-10-3-1-2-6-20-10/h4-5,7,10,13,18H,1-3,6,8H2,(H2,17,19)
InChIKeyAREBWVUPESMHMB-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.27
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide

2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide (PubChem CID 71990927) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide
PubChem CID71990927
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCCO1)c1ccc(Br)cc1F
InChIInChI=1S/C14H18BrFN2O2/c15-9-4-5-11(12(16)7-9)13(14(17)19)18-8-10-3-1-2-6-20-10/h4-5,7,10,13,18H,1-3,6,8H2,(H2,17,19)
InChIKeyAREBWVUPESMHMB-UHFFFAOYSA-N
XLogP2.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide 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

2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54892069
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetamide
CID 54894373
2-(4-bromo-2-fluorophenyl)-2-(cyclohexylamino)acetamide
CID 54894057
2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 107686173
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194342
methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
2-(4-fluoro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 55038391
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
2-(4-bromo-2-fluorophenyl)-2-(oxolan-2-ylmethylamino)propanoic acid
CID 82966847
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
1-(2,4-difluorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 54941852

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide (CID 71990927) is 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide is NC(=O)C(NCC1CCCCO1)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide?
The InChIKey is AREBWVUPESMHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c15-9-4-5-11(12(16)7-9)13(14(17)19)18-8-10-3-1-2-6-20-10/h4-5,7,10,13,18H,1-3,6,8H2,(H2,17,19).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide?
2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide has a molecular weight of 345.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide is sourced from PubChem (CID 71990927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).