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

C14H9F3N2OS — CID 62317895

IUPACN-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
SMILESNC(=S)c1cc(NC(=O)c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H9F3N2OS/c15-7-1-3-9(12(17)5-7)14(20)19-8-2-4-11(16)10(6-8)13(18)21/h1-6H,(H2,18,21)(H,19,20)
InChIKeyONVBKFBSTALNSS-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.99
Rot. Bonds3

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

N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide (PubChem CID 62317895) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
PubChem CID62317895
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC NameN-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide
SMILESNC(=S)c1cc(NC(=O)c2ccc(F)cc2F)ccc1F
InChIInChI=1S/C14H9F3N2OS/c15-7-1-3-9(12(17)5-7)14(20)19-8-2-4-11(16)10(6-8)13(18)21/h1-6H,(H2,18,21)(H,19,20)
InChIKeyONVBKFBSTALNSS-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.99
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-bromo-N-(3-carbamothioyl-4-fluorophenyl)benzamide
CID 62318065
N-(3-carbamothioyl-4-fluorophenyl)-2-methylfuran-3-carboxamide
CID 62318069
N-(3-carbamothioyl-4-fluorophenyl)-4-chloro-3-fluorobenzamide
CID 107987783
2,4-difluorobenzenecarbothioamide
CID 2781868
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
5-[(2-amino-5-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 43712158
N-(2-carbamothioyl-4-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 82683459
N-(5-bromo-2-carbamothioylphenyl)-2,5-difluorobenzamide
CID 107798592
5-bromo-N-(3-carbamothioyl-4-fluorophenyl)pyridine-3-carboxamide
CID 62316120
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,4-difluorobenzamide
CID 79499966

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide (CID 62317895) is N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide is NC(=S)c1cc(NC(=O)c2ccc(F)cc2F)ccc1F.
What is the InChIKey of N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide?
The InChIKey is ONVBKFBSTALNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-7-1-3-9(12(17)5-7)14(20)19-8-2-4-11(16)10(6-8)13(18)21/h1-6H,(H2,18,21)(H,19,20).
What are the key properties of N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide?
N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide has a molecular weight of 310.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioyl-4-fluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 62317895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).