5-amino-2-bromo-N-ethyl-4-fluorobenzamide

C9H10BrFN2O — CID 62831065

IUPAC5-amino-2-bromo-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C9H10BrFN2O/c1-2-13-9(14)5-3-8(12)7(11)4-6(5)10/h3-4H,2,12H2,1H3,(H,13,14)
InChIKeyVWTXWCRRCBNJGJ-UHFFFAOYSA-N
MW261.09 g/mol
LogP1.92
Rot. Bonds2

About 5-amino-2-bromo-N-ethyl-4-fluorobenzamide

5-amino-2-bromo-N-ethyl-4-fluorobenzamide (PubChem CID 62831065) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 5-amino-2-bromo-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-ethyl-4-fluorobenzamide
PubChem CID62831065
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name5-amino-2-bromo-N-ethyl-4-fluorobenzamide
SMILESCCNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C9H10BrFN2O/c1-2-13-9(14)5-3-8(12)7(11)4-6(5)10/h3-4H,2,12H2,1H3,(H,13,14)
InChIKeyVWTXWCRRCBNJGJ-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(2-hydroxy-2-methylbutyl)benzamide
CID 65103459
2-amino-4-bromo-N-ethyl-5-fluorobenzamide
CID 130515983
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-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-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658
[1-(ethylamino)-1-oxopropan-2-yl] 5-amino-2-bromo-4-fluorobenzoate
CID 55118575
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-ethyl-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-ethyl-4-fluorobenzamide (CID 62831065) is 5-amino-2-bromo-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-ethyl-4-fluorobenzamide is CCNC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-N-ethyl-4-fluorobenzamide?
The InChIKey is VWTXWCRRCBNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c1-2-13-9(14)5-3-8(12)7(11)4-6(5)10/h3-4H,2,12H2,1H3,(H,13,14).
What are the key properties of 5-amino-2-bromo-N-ethyl-4-fluorobenzamide?
5-amino-2-bromo-N-ethyl-4-fluorobenzamide has a molecular weight of 261.09 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 62831065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).