N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide

C11H13FN2OS — CID 62666034

IUPACN-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
SMILESNC(=S)CCCNC(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2OS/c12-9-5-2-1-4-8(9)11(15)14-7-3-6-10(13)16/h1-2,4-5H,3,6-7H2,(H2,13,16)(H,14,15)
InChIKeyFWTWLCMBMUNAME-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.62
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide

N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide (PubChem CID 62666034) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
PubChem CID62666034
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
SMILESNC(=S)CCCNC(=O)c1ccccc1F
InChIInChI=1S/C11H13FN2OS/c12-9-5-2-1-4-8(9)11(15)14-7-3-6-10(13)16/h1-2,4-5H,3,6-7H2,(H2,13,16)(H,14,15)
InChIKeyFWTWLCMBMUNAME-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-2-fluorobenzamide
CID 107951242
N-(5-amino-5-sulfanylidenepentyl)-3-chloro-2-fluorobenzamide
CID 81267427
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 113322083
N-(3-amino-3-hydroxyiminopropyl)-2-fluorobenzamide
CID 76952740
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
N-(3-amino-3-sulfanylidenepropyl)-2-(trifluoromethyl)benzamide
CID 62665548
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
N-(4-amino-4-sulfanylidenebutyl)-4-chloro-3-fluorobenzamide
CID 114024478

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide (CID 62666034) is N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide is NC(=S)CCCNC(=O)c1ccccc1F.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide?
The InChIKey is FWTWLCMBMUNAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-9-5-2-1-4-8(9)11(15)14-7-3-6-10(13)16/h1-2,4-5H,3,6-7H2,(H2,13,16)(H,14,15).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide?
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide has a molecular weight of 240.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide is sourced from PubChem (CID 62666034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).