2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide

C15H14ClFN2OS — CID 115762712

IUPAC2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFN2OS/c16-11-5-6-12(17)10(7-11)8-19-13-3-1-2-4-14(13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyGAQGQADVSQGWBL-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.67
Rot. Bonds6

About 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide

2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide (PubChem CID 115762712) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
PubChem CID115762712
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NCc1cc(Cl)ccc1F
InChIInChI=1S/C15H14ClFN2OS/c16-11-5-6-12(17)10(7-11)8-19-13-3-1-2-4-14(13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyGAQGQADVSQGWBL-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]acetamide
CID 75431880
2-[2-[(2-chloro-6-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231940
2-[2-[(2-methoxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 43231952
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
N-[(4-chloro-2-fluorophenyl)methyl]-2-ethylsulfanylaniline
CID 114842098
2-[2-[2-(2-bromo-4-chlorophenoxy)ethylamino]phenyl]sulfanylacetamide
CID 17469304
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
CID 78810118
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
4-chloro-2-[(2-methylsulfanylanilino)methyl]phenol
CID 43683485
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide (CID 115762712) is 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NCc1cc(Cl)ccc1F.
What is the InChIKey of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is GAQGQADVSQGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-11-5-6-12(17)10(7-11)8-19-13-3-1-2-4-14(13)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide?
2-[2-[(5-chloro-2-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-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 115762712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).