2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide

C16H18BrFN2OS — CID 18191770

IUPAC2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(F)ccc1C)Cc1ccc(Br)s1
InChIInChI=1S/C16H18BrFN2OS/c1-3-20(9-13-6-7-15(17)22-13)10-16(21)19-14-8-12(18)5-4-11(14)2/h4-8H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyDVOBOILTGIHGQQ-UHFFFAOYSA-N
MW385.30 g/mol
LogP4.42
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide

2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 18191770) has the molecular formula C16H18BrFN2OS and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID18191770
Molecular FormulaC16H18BrFN2OS
Molecular Weight385.30 g/mol
Exact Mass384.03
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(F)ccc1C)Cc1ccc(Br)s1
InChIInChI=1S/C16H18BrFN2OS/c1-3-20(9-13-6-7-15(17)22-13)10-16(21)19-14-8-12(18)5-4-11(14)2/h4-8H,3,9-10H2,1-2H3,(H,19,21)
InChIKeyDVOBOILTGIHGQQ-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 30962932
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
N-(5-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60693543
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
2-[benzyl(ethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 8541615
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064165
2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-(4-fluorophenyl)acetamide
CID 9299962
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
2-[azetidin-3-yl(ethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 66181734
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide (CID 18191770) is 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide is CCN(CC(=O)Nc1cc(F)ccc1C)Cc1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is DVOBOILTGIHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2OS/c1-3-20(9-13-6-7-15(17)22-13)10-16(21)19-14-8-12(18)5-4-11(14)2/h4-8H,3,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide?
2-[(5-bromothiophen-2-yl)methyl-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 385.30 g/mol, XLogP of 4.42, 6 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-ethylamino]-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 18191770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).