2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide

C15H20FIN2OS — CID 79760112

IUPAC2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)Nc1ccc(F)cc1I)C(N)=S
InChIInChI=1S/C15H20FIN2OS/c1-3-7-15(8-4-2,13(18)21)14(20)19-12-6-5-10(16)9-11(12)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyRJRXMRRNWMDQBR-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.24
Rot. Bonds7

About 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide

2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide (PubChem CID 79760112) has the molecular formula C15H20FIN2OS and a molecular weight of 422.31 g/mol. Its IUPAC name is 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide
PubChem CID79760112
Molecular FormulaC15H20FIN2OS
Molecular Weight422.31 g/mol
Exact Mass422.03
IUPAC Name2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)Nc1ccc(F)cc1I)C(N)=S
InChIInChI=1S/C15H20FIN2OS/c1-3-7-15(8-4-2,13(18)21)14(20)19-12-6-5-10(16)9-11(12)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,21)(H,19,20)
InChIKeyRJRXMRRNWMDQBR-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
1-amino-3-(4-fluoro-2-iodophenyl)thiourea
CID 79766584
2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
CID 79766618
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-2-methylsulfonylacetamide
CID 79766482
N-(4-fluoro-2-iodophenyl)-3-(methylamino)propanamide
CID 79766038
N-(4-chloro-2-iodophenyl)-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107637397
2,4-diamino-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768786
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
3-(4-fluoro-2-iodoanilino)-2,2-dimethylpropanoic acid
CID 79768427

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide?
The IUPAC name of 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide (CID 79760112) is 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide.
What is the SMILES notation for 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide?
The canonical SMILES for 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide is CCCC(CCC)(C(=O)Nc1ccc(F)cc1I)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide?
The InChIKey is RJRXMRRNWMDQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FIN2OS/c1-3-7-15(8-4-2,13(18)21)14(20)19-12-6-5-10(16)9-11(12)17/h5-6,9H,3-4,7-8H2,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide?
2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide has a molecular weight of 422.31 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(4-fluoro-2-iodophenyl)-2-propylpentanamide is sourced from PubChem (CID 79760112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).