N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide

C14H9Cl2FN2OS — CID 82683921

IUPACN-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN2OS/c15-10-3-1-7(5-11(10)16)14(20)19-12-4-2-8(17)6-9(12)13(18)21/h1-6H,(H2,18,21)(H,19,20)
InChIKeyAYURTWOBUUSDMW-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.02
Rot. Bonds3

About N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide

N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide (PubChem CID 82683921) has the molecular formula C14H9Cl2FN2OS and a molecular weight of 343.21 g/mol. Its IUPAC name is N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
PubChem CID82683921
Molecular FormulaC14H9Cl2FN2OS
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC NameN-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide
SMILESNC(=S)c1cc(F)ccc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FN2OS/c15-10-3-1-7(5-11(10)16)14(20)19-12-4-2-8(17)6-9(12)13(18)21/h1-6H,(H2,18,21)(H,19,20)
InChIKeyAYURTWOBUUSDMW-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.02
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-[(3,4-dichlorobenzoyl)amino]-5-fluorobenzoic acid
CID 28545385
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
N-(2-carbamothioyl-4-fluorophenyl)pyridazine-4-carboxamide
CID 104670517
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
N-(2-carbamothioyl-4-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 82683463
N-(2-carbamothioyl-4-fluorophenyl)-5-chloro-2-methylbenzamide
CID 82870456
N-(2-carbamothioyl-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 82016550
N-(5-carbamothioyl-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298760
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339
N-(4-carbamothioyl-2-fluorophenyl)-3-chloro-4-iodobenzamide
CID 103220815
N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 82683459
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide?
The IUPAC name of N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide (CID 82683921) is N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide is NC(=S)c1cc(F)ccc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide?
The InChIKey is AYURTWOBUUSDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2OS/c15-10-3-1-7(5-11(10)16)14(20)19-12-4-2-8(17)6-9(12)13(18)21/h1-6H,(H2,18,21)(H,19,20).
What are the key properties of N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide?
N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide has a molecular weight of 343.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-4-fluorophenyl)-3,4-dichlorobenzamide is sourced from PubChem (CID 82683921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).