5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide

C10H12BrFN2O2 — CID 62815767

IUPAC5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C10H12BrFN2O2/c1-5(15)4-14-10(16)6-2-9(13)8(12)3-7(6)11/h2-3,5,15H,4,13H2,1H3,(H,14,16)
InChIKeyTXVZUBFNUMGRBX-UHFFFAOYSA-N
MW291.12 g/mol
LogP1.28
Rot. Bonds3

About 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide

5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide (PubChem CID 62815767) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
PubChem CID62815767
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C10H12BrFN2O2/c1-5(15)4-14-10(16)6-2-9(13)8(12)3-7(6)11/h2-3,5,15H,4,13H2,1H3,(H,14,16)
InChIKeyTXVZUBFNUMGRBX-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
CID 113483959
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992397
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66181038
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide
CID 62815079
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide (CID 62815767) is 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide?
The InChIKey is TXVZUBFNUMGRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c1-5(15)4-14-10(16)6-2-9(13)8(12)3-7(6)11/h2-3,5,15H,4,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide has a molecular weight of 291.12 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 62815767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).