5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide

C13H18BrFN2O — CID 62816658

IUPAC5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C13H18BrFN2O/c1-4-7(2)8(3)17-13(18)9-5-12(16)11(15)6-10(9)14/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyICRYNPDZENNZQS-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.33
Rot. Bonds4

About 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide

5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide (PubChem CID 62816658) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
PubChem CID62816658
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C13H18BrFN2O/c1-4-7(2)8(3)17-13(18)9-5-12(16)11(15)6-10(9)14/h5-8H,4,16H2,1-3H3,(H,17,18)
InChIKeyICRYNPDZENNZQS-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)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

5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
5-amino-2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62815269
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
2-fluoro-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 62513013
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide (CID 62816658) is 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is ICRYNPDZENNZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-4-7(2)8(3)17-13(18)9-5-12(16)11(15)6-10(9)14/h5-8H,4,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide?
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 317.20 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 62816658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).