2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide

C15H16BrFN2OS — CID 9299609

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Br)s2)cc1F
InChIInChI=1S/C15H16BrFN2OS/c1-10-3-4-11(7-13(10)17)18-15(20)9-19(2)8-12-5-6-14(16)21-12/h3-7H,8-9H2,1-2H3,(H,18,20)
InChIKeyHMMSINZYZCOCBS-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.03
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 9299609) has the molecular formula C15H16BrFN2OS and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID9299609
Molecular FormulaC15H16BrFN2OS
Molecular Weight371.28 g/mol
Exact Mass370.02
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Br)s2)cc1F
InChIInChI=1S/C15H16BrFN2OS/c1-10-3-4-11(7-13(10)17)18-15(20)9-19(2)8-12-5-6-14(16)21-12/h3-7H,8-9H2,1-2H3,(H,18,20)
InChIKeyHMMSINZYZCOCBS-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 9299609) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccc(Br)s2)cc1F.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is HMMSINZYZCOCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2OS/c1-10-3-4-11(7-13(10)17)18-15(20)9-19(2)8-12-5-6-14(16)21-12/h3-7H,8-9H2,1-2H3,(H,18,20).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 371.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9299609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).