2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide

C15H14ClFN2S — CID 62501596

IUPAC2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1NCCc1ccccc1F
InChIInChI=1S/C15H14ClFN2S/c16-11-5-3-7-13(14(11)15(18)20)19-9-8-10-4-1-2-6-12(10)17/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyILUCTLWAIFERDY-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.77
Rot. Bonds5

About 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide

2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide (PubChem CID 62501596) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide
PubChem CID62501596
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1NCCc1ccccc1F
InChIInChI=1S/C15H14ClFN2S/c16-11-5-3-7-13(14(11)15(18)20)19-9-8-10-4-1-2-6-12(10)17/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyILUCTLWAIFERDY-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-chlorophenyl)methylamino]benzenecarbothioamide
CID 62500756
2-chloro-6-(3-phenylpropylamino)benzenecarbothioamide
CID 62495977
2-(2-carbamothioyl-3-chloroanilino)ethyl carbamate
CID 83204135
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenecarbothioamide
CID 63828669
2-chloro-6-[3-(diethylamino)propylamino]benzenecarbothioamide
CID 62501763
2-chloro-6-(5-methylhexylamino)benzenecarbothioamide
CID 113287503
2-chloro-6-(2-cyclopentylethylamino)benzenecarbothioamide
CID 62496318
2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 79512483
2-chloro-6-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
CID 62497704
2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide
CID 62502117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide?
The IUPAC name of 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide (CID 62501596) is 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide is NC(=S)c1c(Cl)cccc1NCCc1ccccc1F.
What is the InChIKey of 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide?
The InChIKey is ILUCTLWAIFERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c16-11-5-3-7-13(14(11)15(18)20)19-9-8-10-4-1-2-6-12(10)17/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide?
2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide has a molecular weight of 308.81 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(2-fluorophenyl)ethylamino]benzenecarbothioamide is sourced from PubChem (CID 62501596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).