2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide

C13H12BrFN2OS — CID 106047985

IUPAC2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H12BrFN2OS/c14-11-5-4-8(19-11)6-7-17-13(18)9-2-1-3-10(15)12(9)16/h1-5H,6-7,16H2,(H,17,18)
InChIKeyRGLBZSQTGFXJAC-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.20
Rot. Bonds4

About 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide (PubChem CID 106047985) has the molecular formula C13H12BrFN2OS and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
PubChem CID106047985
Molecular FormulaC13H12BrFN2OS
Molecular Weight343.22 g/mol
Exact Mass341.98
IUPAC Name2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C13H12BrFN2OS/c14-11-5-4-8(19-11)6-7-17-13(18)9-2-1-3-10(15)12(9)16/h1-5H,6-7,16H2,(H,17,18)
InChIKeyRGLBZSQTGFXJAC-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940156
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-2-ethoxybenzamide
CID 106033436
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 113228249
2,4-diamino-N-[2-(5-bromothiophen-2-yl)ethyl]benzamide
CID 106033536
N-[2-(5-bromothiophen-2-yl)ethyl]-2-nitrobenzamide
CID 26082247
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
2-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-5-iodobenzamide
CID 114139345
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746
3-amino-2-[2-(5-bromothiophen-2-yl)ethylamino]benzoic acid
CID 114139652
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191
N-[2-(5-bromothiophen-2-yl)ethyl]furan-2-carboxamide
CID 18154853
2-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide?
The IUPAC name of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide (CID 106047985) is 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide is Nc1c(F)cccc1C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide?
The InChIKey is RGLBZSQTGFXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2OS/c14-11-5-4-8(19-11)6-7-17-13(18)9-2-1-3-10(15)12(9)16/h1-5H,6-7,16H2,(H,17,18).
What are the key properties of 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide?
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide has a molecular weight of 343.22 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 106047985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).