2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide

C13H16BrFN2O2 — CID 54892069

IUPAC2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCO1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrFN2O2/c14-10-6-8(3-4-11(10)15)12(13(16)18)17-7-9-2-1-5-19-9/h3-4,6,9,12,17H,1-2,5,7H2,(H2,16,18)
InChIKeyOOZNJDGGKYGGSM-UHFFFAOYSA-N
MW331.19 g/mol
LogP1.88
Rot. Bonds5

About 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide

2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 54892069) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID54892069
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCC1CCCO1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrFN2O2/c14-10-6-8(3-4-11(10)15)12(13(16)18)17-7-9-2-1-5-19-9/h3-4,6,9,12,17H,1-2,5,7H2,(H2,16,18)
InChIKeyOOZNJDGGKYGGSM-UHFFFAOYSA-N
XLogP1.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 60993064
2-(3-fluoro-4-hydroxyphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 107686173
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60995391
2-(4-methoxy-3-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 62133911
2-(4-bromo-2-fluorophenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 71990927
methyl 2-(3-chloro-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetate
CID 81145280
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62119932
methyl 2-[3-(difluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)acetate
CID 115527064

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 54892069) is 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide is NC(=O)C(NCC1CCCO1)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is OOZNJDGGKYGGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c14-10-6-8(3-4-11(10)15)12(13(16)18)17-7-9-2-1-5-19-9/h3-4,6,9,12,17H,1-2,5,7H2,(H2,16,18).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide?
2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 331.19 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 54892069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).