2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide

C19H19F2N3OS — CID 17091797

IUPAC2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1F
InChIInChI=1S/C19H19F2N3OS/c20-15-7-3-2-6-14(15)18(25)23-19(26)22-13-8-9-17(16(21)12-13)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,22,23,25,26)
InChIKeyFSLYQNGQVGXTDB-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.08
Rot. Bonds3

About 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide

2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide (PubChem CID 17091797) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide
PubChem CID17091797
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC Name2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1F
InChIInChI=1S/C19H19F2N3OS/c20-15-7-3-2-6-14(15)18(25)23-19(26)22-13-8-9-17(16(21)12-13)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,22,23,25,26)
InChIKeyFSLYQNGQVGXTDB-UHFFFAOYSA-N
XLogP4.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 17091799
N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-fluorobenzamide
CID 22780176
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-nitrobenzamide
CID 1338454
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide
CID 1009742
2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1333473
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-[(3,4-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 881377
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-2-fluorobenzamide
CID 888685
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 2006032
N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3-fluorobenzamide
CID 2281641

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide (CID 17091797) is 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
The InChIKey is FSLYQNGQVGXTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c20-15-7-3-2-6-14(15)18(25)23-19(26)22-13-8-9-17(16(21)12-13)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11H2,(H2,22,23,25,26).
What are the key properties of 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide?
2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide has a molecular weight of 375.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3-fluoro-4-piperidin-1-ylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 17091797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).