N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide

C15H13FN2O2S — CID 62919051

IUPACN-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(N)=S)cc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-7-6-9(8-11(13)16)15(19)18-12-5-3-2-4-10(12)14(17)21/h2-8H,1H3,(H2,17,21)(H,18,19)
InChIKeyKWXDRFWYNCWYNQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.72
Rot. Bonds4

About N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide

N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide (PubChem CID 62919051) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
PubChem CID62919051
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(N)=S)cc1F
InChIInChI=1S/C15H13FN2O2S/c1-20-13-7-6-9(8-11(13)16)15(19)18-12-5-3-2-4-10(12)14(17)21/h2-8H,1H3,(H2,17,21)(H,18,19)
InChIKeyKWXDRFWYNCWYNQ-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide 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)-3,4-difluorobenzamide
CID 24701990
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]benzoate
CID 1226570
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 86992494
2-[(3-bromo-4-methoxybenzoyl)amino]benzoic acid
CID 43241988
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
CID 31915342
N-(4-aminophenyl)-3-fluoro-4-methoxybenzamide
CID 55125214
N-(2-aminoethyl)-2-[[4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120603923
3,4-dimethoxy-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 18089928

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide (CID 62919051) is N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(N)=S)cc1F.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is KWXDRFWYNCWYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-20-13-7-6-9(8-11(13)16)15(19)18-12-5-3-2-4-10(12)14(17)21/h2-8H,1H3,(H2,17,21)(H,18,19).
What are the key properties of N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide?
N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 62919051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).