2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide

C15H14ClFN2OS — CID 43231940

IUPAC2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFN2OS/c16-11-4-3-5-12(17)10(11)8-19-13-6-1-2-7-14(13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyGFSNTLUGDLYPIV-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.67
Rot. Bonds6

About 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide

2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide (PubChem CID 43231940) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
PubChem CID43231940
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFN2OS/c16-11-4-3-5-12(17)10(11)8-19-13-6-1-2-7-14(13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyGFSNTLUGDLYPIV-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
2-[2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methylamino]phenyl]sulfanylacetamide
CID 99618872
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 60976639
2-[2-[2-(2-fluorophenoxy)ethylamino]phenyl]sulfanylacetamide
CID 51248663
2-[2-[(3-aminothiophen-2-yl)methylamino]phenyl]sulfanylacetamide
CID 66385351
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
N-[(2,6-dichlorophenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 63448914
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
3-[(2-chloro-6-fluorophenyl)methylamino]-3-methylbutanamide
CID 104580447

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide (CID 43231940) is 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1c(F)cccc1Cl.
What is the InChIKey of 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is GFSNTLUGDLYPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-11-4-3-5-12(17)10(11)8-19-13-6-1-2-7-14(13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 324.81 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 43231940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).