3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide

C14H10ClFN2OS — CID 43438538

IUPAC3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
SMILESNC(=S)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H10ClFN2OS/c15-10-4-5-11(16)12(7-10)18-14(19)9-3-1-2-8(6-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyYXSJQOSRXZWDNU-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.37
Rot. Bonds3

About 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide

3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide (PubChem CID 43438538) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
PubChem CID43438538
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.77 g/mol
Exact Mass308.02
IUPAC Name3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
SMILESNC(=S)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H10ClFN2OS/c15-10-4-5-11(16)12(7-10)18-14(19)9-3-1-2-8(6-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyYXSJQOSRXZWDNU-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.37
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

3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894
5-carbamothioyl-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 63722901
3-carbamothioyl-N-(3,4,5-trifluorophenyl)benzamide
CID 62812174
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
4-carbamothioyl-N-(2,5-dichlorophenyl)benzamide
CID 29037968
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide (CID 43438538) is 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide is NC(=S)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide?
The InChIKey is YXSJQOSRXZWDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/c15-10-4-5-11(16)12(7-10)18-14(19)9-3-1-2-8(6-9)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide?
3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide has a molecular weight of 308.77 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide is sourced from PubChem (CID 43438538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).