N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide

C14H10ClFN2O2S — CID 115298760

IUPACN-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C14H10ClFN2O2S/c15-10-3-1-7(13(17)21)5-11(10)18-14(20)9-6-8(16)2-4-12(9)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyDOVBVIGBCCSUAJ-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.07
Rot. Bonds3

About N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide

N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 115298760) has the molecular formula C14H10ClFN2O2S and a molecular weight of 324.76 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
PubChem CID115298760
Molecular FormulaC14H10ClFN2O2S
Molecular Weight324.76 g/mol
Exact Mass324.01
IUPAC NameN-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
SMILESNC(=S)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2O)c1
InChIInChI=1S/C14H10ClFN2O2S/c15-10-3-1-7(13(17)21)5-11(10)18-14(20)9-6-8(16)2-4-12(9)19/h1-6,19H,(H2,17,21)(H,18,20)
InChIKeyDOVBVIGBCCSUAJ-UHFFFAOYSA-N
XLogP3.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
N-(5-bromo-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298791
N-(2-chloro-5-fluorophenyl)-2,5-dihydroxybenzamide
CID 107724057
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
N-(3-carbamothioylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298712
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
CID 82683921
N-(5-acetyl-2-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 71969035
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
N-(2,6-dichloro-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 83078997
N-(2-amino-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298308
N-(2-amino-5-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298392

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide (CID 115298760) is N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide is NC(=S)c1ccc(Cl)c(NC(=O)c2cc(F)ccc2O)c1.
What is the InChIKey of N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is DOVBVIGBCCSUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2S/c15-10-3-1-7(13(17)21)5-11(10)18-14(20)9-6-8(16)2-4-12(9)19/h1-6,19H,(H2,17,21)(H,18,20).
What are the key properties of N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide?
N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 324.76 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 115298760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).