5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide

C10H10BrFN2O — CID 62815079

IUPAC5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C10H10BrFN2O/c1-2-3-14-10(15)6-4-9(13)8(12)5-7(6)11/h2,4-5H,1,3,13H2,(H,14,15)
InChIKeyBYEAPAFHLJHPQJ-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.09
Rot. Bonds3

About 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide

5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide (PubChem CID 62815079) has the molecular formula C10H10BrFN2O and a molecular weight of 273.11 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide
PubChem CID62815079
Molecular FormulaC10H10BrFN2O
Molecular Weight273.11 g/mol
Exact Mass272.00
IUPAC Name5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C10H10BrFN2O/c1-2-3-14-10(15)6-4-9(13)8(12)5-7(6)11/h2,4-5H,1,3,13H2,(H,14,15)
InChIKeyBYEAPAFHLJHPQJ-UHFFFAOYSA-N
XLogP2.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide 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-N-ethyl-4-fluorobenzamide
CID 62831065
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
5-amino-2-bromo-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313078
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
CID 113483959
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103459
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
2-bromo-6-fluoro-N-prop-2-enylbenzamide
CID 115678484
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide (CID 62815079) is 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide?
The InChIKey is BYEAPAFHLJHPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c1-2-3-14-10(15)6-4-9(13)8(12)5-7(6)11/h2,4-5H,1,3,13H2,(H,14,15).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide?
5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide has a molecular weight of 273.11 g/mol, XLogP of 2.09, 3 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-prop-2-enylbenzamide is sourced from PubChem (CID 62815079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).