2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide

C12H16BrFN2O — CID 61298886

IUPAC2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-7(2)11(15)12(17)16-6-8-5-9(13)3-4-10(8)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyVIQFOKAMOMTGMW-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide

2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide (PubChem CID 61298886) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
PubChem CID61298886
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C12H16BrFN2O/c1-7(2)11(15)12(17)16-6-8-5-9(13)3-4-10(8)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyVIQFOKAMOMTGMW-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide 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-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide
CID 61300631
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxypropanamide
CID 106112585
N-[(5-bromo-2-fluorophenyl)methyl]-2-(hydroxymethyl)butanamide
CID 115186586
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-2-chloro-2-phenylacetamide
CID 61298690
(2S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-(3-bromophenyl)butanamide
CID 24753291
(2S)-2-amino-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119320080
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-methylbutanamide
CID 62538439

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide (CID 61298886) is 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide is CC(C)C(N)C(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide?
The InChIKey is VIQFOKAMOMTGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-7(2)11(15)12(17)16-6-8-5-9(13)3-4-10(8)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide?
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide has a molecular weight of 303.18 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 61298886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).