4-carbamothioyl-N-(2,2-difluoroethyl)benzamide

C10H10F2N2OS — CID 79140293

IUPAC4-carbamothioyl-N-(2,2-difluoroethyl)benzamide
SMILESNC(=S)c1ccc(C(=O)NCC(F)F)cc1
InChIInChI=1S/C10H10F2N2OS/c11-8(12)5-14-10(15)7-3-1-6(2-4-7)9(13)16/h1-4,8H,5H2,(H2,13,16)(H,14,15)
InChIKeyKAMOISIVEUDMSL-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.32
Rot. Bonds4

About 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide

4-carbamothioyl-N-(2,2-difluoroethyl)benzamide (PubChem CID 79140293) has the molecular formula C10H10F2N2OS and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(2,2-difluoroethyl)benzamide
PubChem CID79140293
Molecular FormulaC10H10F2N2OS
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name4-carbamothioyl-N-(2,2-difluoroethyl)benzamide
SMILESNC(=S)c1ccc(C(=O)NCC(F)F)cc1
InChIInChI=1S/C10H10F2N2OS/c11-8(12)5-14-10(15)7-3-1-6(2-4-7)9(13)16/h1-4,8H,5H2,(H2,13,16)(H,14,15)
InChIKeyKAMOISIVEUDMSL-UHFFFAOYSA-N
XLogP1.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.32
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

4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
N-(4-amino-4-oxobutyl)-4-carbamothioylbenzamide
CID 60863237
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
4-N-(2,2-diaminoethyl)benzene-1,4-dicarboxamide
CID 172799117
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide
CID 130551008
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
3-amino-N-(2,2-difluoroethyl)-4-nitrobenzamide
CID 113304064
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide (CID 79140293) is 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide is NC(=S)c1ccc(C(=O)NCC(F)F)cc1.
What is the InChIKey of 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide?
The InChIKey is KAMOISIVEUDMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2OS/c11-8(12)5-14-10(15)7-3-1-6(2-4-7)9(13)16/h1-4,8H,5H2,(H2,13,16)(H,14,15).
What are the key properties of 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide?
4-carbamothioyl-N-(2,2-difluoroethyl)benzamide has a molecular weight of 244.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(2,2-difluoroethyl)benzamide is sourced from PubChem (CID 79140293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).