N-(2-carbamothioylphenyl)-3,4-difluorobenzamide

C14H10F2N2OS — CID 24701990

IUPACN-(2-carbamothioylphenyl)-3,4-difluorobenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2OS/c15-10-6-5-8(7-11(10)16)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyCQQVOTXJHOBTSD-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.85
Rot. Bonds3

About N-(2-carbamothioylphenyl)-3,4-difluorobenzamide

N-(2-carbamothioylphenyl)-3,4-difluorobenzamide (PubChem CID 24701990) has the molecular formula C14H10F2N2OS and a molecular weight of 292.31 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3,4-difluorobenzamide
PubChem CID24701990
Molecular FormulaC14H10F2N2OS
Molecular Weight292.31 g/mol
Exact Mass292.05
IUPAC NameN-(2-carbamothioylphenyl)-3,4-difluorobenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2OS/c15-10-6-5-8(7-11(10)16)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyCQQVOTXJHOBTSD-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'}

Analyze N-(2-carbamothioylphenyl)-3,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
CID 62919051
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
CID 28538198
3,4-difluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61498076
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3,4-difluorobenzamide
CID 78810118
4-chloro-3-fluoro-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107992341
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608
2-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209935
N-(2-acetylphenyl)-4-bromo-3-fluorobenzamide
CID 47421879

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3,4-difluorobenzamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3,4-difluorobenzamide (CID 24701990) is N-(2-carbamothioylphenyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3,4-difluorobenzamide is NC(=S)c1ccccc1NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-carbamothioylphenyl)-3,4-difluorobenzamide?
The InChIKey is CQQVOTXJHOBTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2OS/c15-10-6-5-8(7-11(10)16)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of N-(2-carbamothioylphenyl)-3,4-difluorobenzamide?
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide 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 N-(2-carbamothioylphenyl)-3,4-difluorobenzamide is sourced from PubChem (CID 24701990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).