N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide

C17H16ClFN2O2S — CID 17045856

IUPACN-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O2S/c1-10(2)23-15-6-4-3-5-12(15)16(22)21-17(24)20-11-7-8-14(19)13(18)9-11/h3-10H,1-2H3,(H2,20,21,22,24)
InChIKeySIUBSKWPPSOVPK-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.39
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide

N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide (PubChem CID 17045856) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
PubChem CID17045856
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16ClFN2O2S/c1-10(2)23-15-6-4-3-5-12(15)16(22)21-17(24)20-11-7-8-14(19)13(18)9-11/h3-10H,1-2H3,(H2,20,21,22,24)
InChIKeySIUBSKWPPSOVPK-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045900
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-methylbenzamide
CID 886248
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-pentoxybenzamide
CID 4947158
N-[(3-methylphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045738
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-iodobenzamide
CID 2980635
2-chloro-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 26167249
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
N-[[(2-chlorobenzoyl)amino]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045953
N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17079945
N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 26165046
[2-[(3,4-dichlorophenyl)carbamothioylcarbamoyl]phenyl] acetate
CID 71388848
N-[(4-phenylmethoxyphenyl)carbamothioyl]-2-propan-2-yloxybenzamide
CID 17045921

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide (CID 17045856) is N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)NC(=S)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
The InChIKey is SIUBSKWPPSOVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c1-10(2)23-15-6-4-3-5-12(15)16(22)21-17(24)20-11-7-8-14(19)13(18)9-11/h3-10H,1-2H3,(H2,20,21,22,24).
What are the key properties of N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide?
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide has a molecular weight of 366.85 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 17045856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).