N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide

C19H19ClFN3OS — CID 3218714

IUPACN-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3OS/c20-16-3-1-2-4-17(16)23-19(26)24-11-9-15(10-12-24)22-18(25)13-5-7-14(21)8-6-13/h1-8,15H,9-12H2,(H,22,25)(H,23,26)
InChIKeySVKMAEVSCUFTST-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.07
Rot. Bonds3

About N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 3218714) has the molecular formula C19H19ClFN3OS and a molecular weight of 391.90 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID3218714
Molecular FormulaC19H19ClFN3OS
Molecular Weight391.90 g/mol
Exact Mass391.09
IUPAC NameN-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H19ClFN3OS/c20-16-3-1-2-4-17(16)23-19(26)24-11-9-15(10-12-24)22-18(25)13-5-7-14(21)8-6-13/h1-8,15H,9-12H2,(H,22,25)(H,23,26)
InChIKeySVKMAEVSCUFTST-UHFFFAOYSA-N
XLogP4.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.07
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

N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
CID 43814168
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3218721
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
N-[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 46592898
N-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218722
4-methoxy-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218707
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437
4-[bis(4-fluorophenyl)methyl]-N-(2-chlorophenyl)piperazine-1-carbothioamide
CID 17312784
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]benzamide
CID 33308755
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide (CID 3218714) is N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(C(=S)Nc2ccccc2Cl)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is SVKMAEVSCUFTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3OS/c20-16-3-1-2-4-17(16)23-19(26)24-11-9-15(10-12-24)22-18(25)13-5-7-14(21)8-6-13/h1-8,15H,9-12H2,(H,22,25)(H,23,26).
What are the key properties of N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 391.90 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 3218714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).