N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide

C11H13FN2OS — CID 801621

IUPACN-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C11H13FN2OS/c1-7(2)10(15)14-11(16)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyUTGZYFNLMRPMFZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.29
Rot. Bonds2

About N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide

N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide (PubChem CID 801621) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide
PubChem CID801621
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C11H13FN2OS/c1-7(2)10(15)14-11(16)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyUTGZYFNLMRPMFZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.29
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

Merbarone
CID 4990817
4-Fluorophenylthiourea
CID 693061
(3-Fluorophenyl)thiourea
CID 2734799
1-Acetyl-3-phenyl-2-thiourea
CID 853886
N'-(3-fluorophenyl)-N,N-dimethylthiourea
CID 2731389
2-acetyl-N-(3-fluorophenyl)hydrazinecarbothioamide
CID 2819305
N-((Phenylamino)carbonyl)acetamide
CID 66877
(2-Fluorophenyl)thiourea
CID 2737500
(2E)-3-(4-fluorophenyl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 786721
N-(phenylcarbamothioyl)cyclohexanecarboxamide
CID 797446
N-[4-({[(cyclopropylcarbonyl)amino]carbothioyl}amino)phenyl]acetamide
CID 833425
N-[(4-fluorophenyl)carbamothioyl]cyclohexanecarboxamide
CID 886080

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide?
The IUPAC name of N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide (CID 801621) is N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide is CC(C)C(=O)NC(=S)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide?
The InChIKey is UTGZYFNLMRPMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-7(2)10(15)14-11(16)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide?
N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide has a molecular weight of 240.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)carbamothioyl]-2-methylpropanamide is sourced from PubChem (CID 801621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).