N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide

C14H9Cl2FN2OS — CID 823889

IUPACN-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9Cl2FN2OS/c15-9-3-6-12(11(16)7-9)18-14(21)19-13(20)8-1-4-10(17)5-2-8/h1-7H,(H2,18,19,20,21)
InChIKeyVOFSBOPAHFEVOO-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.26
Rot. Bonds2

About N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide

N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide (PubChem CID 823889) has the molecular formula C14H9Cl2FN2OS and a molecular weight of 343.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
PubChem CID823889
Molecular FormulaC14H9Cl2FN2OS
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC NameN-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H9Cl2FN2OS/c15-9-3-6-12(11(16)7-9)18-14(21)19-13(20)8-1-4-10(17)5-2-8/h1-7H,(H2,18,19,20,21)
InChIKeyVOFSBOPAHFEVOO-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.26
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

4-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]benzamide
CID 4673863
4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2281952
N-[(2,4-dichlorophenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 1339065
N-[(2,4-dichlorophenyl)carbamothioyl]-3,5-dinitrobenzamide
CID 3382172
3-bromo-N-[(2,4-dichlorophenyl)carbamothioyl]-4-methoxybenzamide
CID 2281585
2-chloro-N-[(2,4-dichlorophenyl)carbamothioyl]-5-iodobenzamide
CID 2202064
3-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629756
N-[(4-bromo-2-chlorophenyl)carbamothioyl]-4-iodobenzamide
CID 17115477
N-[(4-amino-2-chlorophenyl)carbamothioyl]-4-tert-butylbenzamide
CID 53371643
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17100502
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
5-chloro-2-[(2,5-dichlorobenzoyl)carbamothioylamino]benzoic acid
CID 3494401

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide (CID 823889) is N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide is O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide?
The InChIKey is VOFSBOPAHFEVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2OS/c15-9-3-6-12(11(16)7-9)18-14(21)19-13(20)8-1-4-10(17)5-2-8/h1-7H,(H2,18,19,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide?
N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide has a molecular weight of 343.21 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide is sourced from PubChem (CID 823889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).