3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide

C11H12BrFN2O2 — CID 115185546

IUPAC3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide
SMILESNCC1(C(=O)Nc2cc(Br)ccc2F)COC1
InChIInChI=1S/C11H12BrFN2O2/c12-7-1-2-8(13)9(3-7)15-10(16)11(4-14)5-17-6-11/h1-3H,4-6,14H2,(H,15,16)
InChIKeySJUIWWQZLFQQBO-UHFFFAOYSA-N
MW303.13 g/mol
LogP1.50
Rot. Bonds3

About 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide

3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide (PubChem CID 115185546) has the molecular formula C11H12BrFN2O2 and a molecular weight of 303.13 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide
PubChem CID115185546
Molecular FormulaC11H12BrFN2O2
Molecular Weight303.13 g/mol
Exact Mass302.01
IUPAC Name3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide
SMILESNCC1(C(=O)Nc2cc(Br)ccc2F)COC1
InChIInChI=1S/C11H12BrFN2O2/c12-7-1-2-8(13)9(3-7)15-10(16)11(4-14)5-17-6-11/h1-3H,4-6,14H2,(H,15,16)
InChIKeySJUIWWQZLFQQBO-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.13
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide 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

N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-bromobenzoic acid
CID 115435155
4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
CID 119281028
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-4-bromobenzoic acid
CID 115437697
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
3-amino-N-(5-bromo-2-fluorophenyl)-3-sulfanylidenepropanamide
CID 43555865
3-[(5-bromo-2-fluorophenyl)methyl]oxetane-3-carboxylic acid
CID 116930153
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245
1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441642
3-amino-4-(5-bromo-2-fluoroanilino)-4-oxobutanoic acid
CID 64895277

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide (CID 115185546) is 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide is NCC1(C(=O)Nc2cc(Br)ccc2F)COC1.
What is the InChIKey of 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is SJUIWWQZLFQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O2/c12-7-1-2-8(13)9(3-7)15-10(16)11(4-14)5-17-6-11/h1-3H,4-6,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide?
3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 303.13 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-bromo-2-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).