5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide

C15H16BrFN2OS — CID 62815438

IUPAC5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
SMILESCc1cc(C(C)NC(=O)c2cc(N)c(F)cc2Br)c(C)s1
InChIInChI=1S/C15H16BrFN2OS/c1-7-4-10(9(3)21-7)8(2)19-15(20)11-5-14(18)13(17)6-12(11)16/h4-6,8H,18H2,1-3H3,(H,19,20)
InChIKeyJJGRANCUMZSKPJ-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.34
Rot. Bonds3

About 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide

5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide (PubChem CID 62815438) has the molecular formula C15H16BrFN2OS and a molecular weight of 371.28 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
PubChem CID62815438
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.28 g/mol
Exact Mass370.02
IUPAC Name5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide
SMILESCc1cc(C(C)NC(=O)c2cc(N)c(F)cc2Br)c(C)s1
InChIInChI=1S/C15H16BrFN2OS/c1-7-4-10(9(3)21-7)8(2)19-15(20)11-5-14(18)13(17)6-12(11)16/h4-6,8H,18H2,1-3H3,(H,19,20)
InChIKeyJJGRANCUMZSKPJ-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.34
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

5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
5-amino-2-bromo-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62814924
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 104741138

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide (CID 62815438) is 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide is Cc1cc(C(C)NC(=O)c2cc(N)c(F)cc2Br)c(C)s1.
What is the InChIKey of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
The InChIKey is JJGRANCUMZSKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c1-7-4-10(9(3)21-7)8(2)19-15(20)11-5-14(18)13(17)6-12(11)16/h4-6,8H,18H2,1-3H3,(H,19,20).
What are the key properties of 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide?
5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide has a molecular weight of 371.28 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 62815438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).