N-[(2-fluorophenyl)carbamothioyl]propanamide

C10H11FN2OS — CID 884339

IUPACN-[(2-fluorophenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C10H11FN2OS/c1-2-9(14)13-10(15)12-8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyKZGGJWVXUJYZBA-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.05
Rot. Bonds2

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

N-[(2-fluorophenyl)carbamothioyl]propanamide (PubChem CID 884339) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(2-fluorophenyl)carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)carbamothioyl]propanamide
PubChem CID884339
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC NameN-[(2-fluorophenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccccc1F
InChIInChI=1S/C10H11FN2OS/c1-2-9(14)13-10(15)12-8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14,15)
InChIKeyKZGGJWVXUJYZBA-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.05
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
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1-Methyl-3-phenylthiourea
CID 698294
(2,4-Difluorophenyl)thiourea
CID 2734207
N-(4-fluorophenyl)acetamide
CID 9601
4-Fluorophenylthiourea
CID 693061
N-(2-Fluorophenyl)acetamide
CID 67860
1,3-Bis(2-fluorophenyl)-2-thiourea
CID 714569
(3-Fluorophenyl)thiourea
CID 2734799
N-((Phenylamino)carbonyl)acetamide
CID 66877
1-Acetyl-3-phenyl-2-thiourea
CID 853886
N-(3-Fluorophenyl)acetamide
CID 9594

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)carbamothioyl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)carbamothioyl]propanamide (CID 884339) is N-[(2-fluorophenyl)carbamothioyl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)carbamothioyl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)carbamothioyl]propanamide is CCC(=O)NC(=S)Nc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)carbamothioyl]propanamide?
The InChIKey is KZGGJWVXUJYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-2-9(14)13-10(15)12-8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of N-[(2-fluorophenyl)carbamothioyl]propanamide?
N-[(2-fluorophenyl)carbamothioyl]propanamide has a molecular weight of 226.28 g/mol, XLogP of 2.05, 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]propanamide is sourced from PubChem (CID 884339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).