4-carbamothioyl-N-(3,4-difluorophenyl)benzamide

C14H10F2N2OS — CID 24706077

IUPAC4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
SMILESNC(=S)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H10F2N2OS/c15-11-6-5-10(7-12(11)16)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyUBRSPAHXEWAPRX-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.85
Rot. Bonds3

About 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide

4-carbamothioyl-N-(3,4-difluorophenyl)benzamide (PubChem CID 24706077) has the molecular formula C14H10F2N2OS and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
PubChem CID24706077
Molecular FormulaC14H10F2N2OS
Molecular Weight292.31 g/mol
Exact Mass292.05
IUPAC Name4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
SMILESNC(=S)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H10F2N2OS/c15-11-6-5-10(7-12(11)16)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyUBRSPAHXEWAPRX-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.85
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

N-(4-carbamothioylphenyl)-4-fluorobenzamide
CID 24710557
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691221
N-(3,4-difluorophenyl)-4-(methanesulfonamido)benzamide
CID 1265569
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-(3,4-difluorophenyl)-4-(ethylsulfonylamino)benzamide
CID 2996034

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide?
The IUPAC name of 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide (CID 24706077) is 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide?
The canonical SMILES for 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide is NC(=S)c1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide?
The InChIKey is UBRSPAHXEWAPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2OS/c15-11-6-5-10(7-12(11)16)18-14(19)9-3-1-8(2-4-9)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide?
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide has a molecular weight of 292.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamothioyl-N-(3,4-difluorophenyl)benzamide is sourced from PubChem (CID 24706077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).