N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C14H12BrF3N2OS — CID 56540445

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Br)s1
InChIInChI=1S/C14H12BrF3N2OS/c15-12-5-4-11(22-12)7-20-13(21)8-19-10-3-1-2-9(6-10)14(16,17)18/h1-6,19H,7-8H2,(H,20,21)
InChIKeyUUMJZMJLIWJPBN-UHFFFAOYSA-N
MW393.23 g/mol
LogP4.26
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56540445) has the molecular formula C14H12BrF3N2OS and a molecular weight of 393.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56540445
Molecular FormulaC14H12BrF3N2OS
Molecular Weight393.23 g/mol
Exact Mass391.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Br)s1
InChIInChI=1S/C14H12BrF3N2OS/c15-12-5-4-11(22-12)7-20-13(21)8-19-10-3-1-2-9(6-10)14(16,17)18/h1-6,19H,7-8H2,(H,20,21)
InChIKeyUUMJZMJLIWJPBN-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336
N-[[2-(difluoromethoxy)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538640
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
N-[[2-(methanesulfonamido)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546361
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56539922
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540517

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56540445) is N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is UUMJZMJLIWJPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2OS/c15-12-5-4-11(22-12)7-20-13(21)8-19-10-3-1-2-9(6-10)14(16,17)18/h1-6,19H,7-8H2,(H,20,21).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 393.23 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56540445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).