N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide

C16H15FN2OS — CID 107805598

IUPACN-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccccc2F)c1C(N)=S
InChIInChI=1S/C16H15FN2OS/c1-10-5-4-8-13(15(10)16(18)21)19-14(20)9-11-6-2-3-7-12(11)17/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyRWISCHBEPZQZQC-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.95
Rot. Bonds4

About N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide

N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide (PubChem CID 107805598) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
PubChem CID107805598
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccccc2F)c1C(N)=S
InChIInChI=1S/C16H15FN2OS/c1-10-5-4-8-13(15(10)16(18)21)19-14(20)9-11-6-2-3-7-12(11)17/h2-8H,9H2,1H3,(H2,18,21)(H,19,20)
InChIKeyRWISCHBEPZQZQC-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.95
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-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 62387868
2-fluoro-6-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 79512483
1-(2-carbamothioyl-3-methylphenyl)-3-(4-fluorophenyl)urea
CID 107798932
N-(3-chloro-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 2671408
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
2-chloro-6-[[2-(2-fluorophenyl)acetyl]amino]benzoic acid
CID 63723434
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511
N-(2-carbamothioyl-3-methylphenyl)-3,4,4-trimethylpentanamide
CID 107805667
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
N-(2-carbamothioyl-3-methylphenyl)-2,5-difluorobenzamide
CID 107805515
2-(2-methylphenyl)-N-[2-[[2-(2-methylphenyl)acetyl]amino]phenyl]acetamide
CID 26164464

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide (CID 107805598) is N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide is Cc1cccc(NC(=O)Cc2ccccc2F)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide?
The InChIKey is RWISCHBEPZQZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-10-5-4-8-13(15(10)16(18)21)19-14(20)9-11-6-2-3-7-12(11)17/h2-8H,9H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide?
N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-methylphenyl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 107805598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).