2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide

C13H8Cl2FNOS — CID 167048219

IUPAC2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(S)c1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C13H8Cl2FNOS/c14-11-7(3-1-4-8(11)16)13(18)17-9-5-2-6-10(19)12(9)15/h1-6,19H,(H,17,18)
InChIKeyUEHIVCOSEOGWNV-UHFFFAOYSA-N
MW316.18 g/mol
LogP4.67
Rot. Bonds2

About 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide

2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide (PubChem CID 167048219) has the molecular formula C13H8Cl2FNOS and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide
PubChem CID167048219
Molecular FormulaC13H8Cl2FNOS
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide
SMILESO=C(Nc1cccc(S)c1Cl)c1cccc(F)c1Cl
InChIInChI=1S/C13H8Cl2FNOS/c14-11-7(3-1-4-8(11)16)13(18)17-9-5-2-6-10(19)12(9)15/h1-6,19H,(H,17,18)
InChIKeyUEHIVCOSEOGWNV-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
3-[(2-chloro-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81453310
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
N-(2-amino-4,5-dimethylphenyl)-2-chloro-3-fluorobenzamide
CID 81454782
N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
CID 107789965
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
N-(3-amino-4-fluorophenyl)-2-chloro-3-fluorobenzamide
CID 81453774
2-chloro-3-fluoro-N-[4-(hydroxymethyl)phenyl]benzamide
CID 81461664
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide (CID 167048219) is 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide is O=C(Nc1cccc(S)c1Cl)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide?
The InChIKey is UEHIVCOSEOGWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2FNOS/c14-11-7(3-1-4-8(11)16)13(18)17-9-5-2-6-10(19)12(9)15/h1-6,19H,(H,17,18).
What are the key properties of 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide?
2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide has a molecular weight of 316.18 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-3-sulfanylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 167048219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).