5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C13H14BrFN4O — CID 62814568

IUPAC5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCn1ccnc1CCNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C13H14BrFN4O/c1-19-5-4-17-12(19)2-3-18-13(20)8-6-11(16)10(15)7-9(8)14/h4-7H,2-3,16H2,1H3,(H,18,20)
InChIKeyFQBIFQOFSBVJHD-UHFFFAOYSA-N
MW341.18 g/mol
LogP1.88
Rot. Bonds4

About 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 62814568) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID62814568
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCn1ccnc1CCNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C13H14BrFN4O/c1-19-5-4-17-12(19)2-3-18-13(20)8-6-11(16)10(15)7-9(8)14/h4-7H,2-3,16H2,1H3,(H,18,20)
InChIKeyFQBIFQOFSBVJHD-UHFFFAOYSA-N
XLogP1.88
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylimidazol-2-yl)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 114531067
5-amino-2-bromo-4-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63329018
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 61213141
5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61214440
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928
4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 78988023
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 62814568) is 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is Cn1ccnc1CCNC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is FQBIFQOFSBVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-19-5-4-17-12(19)2-3-18-13(20)8-6-11(16)10(15)7-9(8)14/h4-7H,2-3,16H2,1H3,(H,18,20).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 341.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 62814568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).