2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide

C13H12ClFN2OS — CID 114453595

IUPAC2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCc1cccs1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H12ClFN2OS/c14-9-4-8(5-10(15)6-9)12(13(16)18)17-7-11-2-1-3-19-11/h1-6,12,17H,7H2,(H2,16,18)
InChIKeyLOGNIGJUZWDTNG-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.86
Rot. Bonds5

About 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide

2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 114453595) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID114453595
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESNC(=O)C(NCc1cccs1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H12ClFN2OS/c14-9-4-8(5-10(15)6-9)12(13(16)18)17-7-11-2-1-3-19-11/h1-6,12,17H,7H2,(H2,16,18)
InChIKeyLOGNIGJUZWDTNG-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 114453685
2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54890942
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891133
2-(4-chloro-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 114843727
2-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
2-(4-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 79983660
2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 66156659
ethyl 2-(4-fluoro-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 62121692
ethyl 2-(2-bromo-5-chlorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 66156855
(2S)-2-(thiophen-2-ylmethylamino)butanediamide
CID 151018990
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide (CID 114453595) is 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide is NC(=O)C(NCc1cccs1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is LOGNIGJUZWDTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2OS/c14-9-4-8(5-10(15)6-9)12(13(16)18)17-7-11-2-1-3-19-11/h1-6,12,17H,7H2,(H2,16,18).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide?
2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 298.77 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 114453595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).