N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

C13H11F3N2OS — CID 23404910

IUPACN-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESNc1cccc(N(Cc2cccs2)C(=O)C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)12(19)18(8-11-5-2-6-20-11)10-4-1-3-9(17)7-10/h1-7H,8,17H2
InChIKeyXDNZLZKJFOPPFS-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.43
Rot. Bonds3

About N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide

N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 23404910) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
PubChem CID23404910
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC NameN-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
SMILESNc1cccc(N(Cc2cccs2)C(=O)C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)12(19)18(8-11-5-2-6-20-11)10-4-1-3-9(17)7-10/h1-7H,8,17H2
InChIKeyXDNZLZKJFOPPFS-UHFFFAOYSA-N
XLogP3.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 62490776
N-[3-(bromomethyl)phenyl]-N-[[3-(bromomethyl)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 11059659
3-N-propyl-3-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 63774185
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
ethyl N-phenyl-N-(thiophen-2-ylmethyl)carbamate
CID 91149975
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
methyl 3-[carbamothioyl(thiophen-2-ylmethyl)amino]benzoate
CID 86601764
N-[(3-aminophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 43383718
2-bromo-N-phenyl-N-(thiophen-2-ylmethyl)acetamide
CID 14292484
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
4-amino-2-chloro-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527196

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide (CID 23404910) is N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is Nc1cccc(N(Cc2cccs2)C(=O)C(F)(F)F)c1.
What is the InChIKey of N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XDNZLZKJFOPPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)12(19)18(8-11-5-2-6-20-11)10-4-1-3-9(17)7-10/h1-7H,8,17H2.
What are the key properties of N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide?
N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 23404910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).