2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide

C14H11ClFNOS — CID 63937150

IUPAC2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccccc1F
InChIInChI=1S/C14H11ClFNOS/c15-10-5-3-7-12(13(10)14(17)19)18-8-9-4-1-2-6-11(9)16/h1-7H,8H2,(H2,17,19)
InChIKeyUHNNOCSXNCLUSN-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.69
Rot. Bonds4

About 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide

2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide (PubChem CID 63937150) has the molecular formula C14H11ClFNOS and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
PubChem CID63937150
Molecular FormulaC14H11ClFNOS
Molecular Weight295.77 g/mol
Exact Mass295.02
IUPAC Name2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccccc1F
InChIInChI=1S/C14H11ClFNOS/c15-10-5-3-7-12(13(10)14(17)19)18-8-9-4-1-2-6-11(9)16/h1-7H,8H2,(H2,17,19)
InChIKeyUHNNOCSXNCLUSN-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
2-[(3-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 102855950
2-[(2-bromophenyl)methoxy]-6-chlorobenzenecarbothioamide
CID 114322938
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 43609343
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
CID 107881174
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
3-chloro-4-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 61389088
2-[(2-chloro-4-methylphenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 106863550
2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
2-fluoro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 55108152
2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
4-[(2-chlorophenyl)methoxy]-3-fluorobenzenecarbothioamide
CID 43658000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide?
The IUPAC name of 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide (CID 63937150) is 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide is NC(=S)c1c(Cl)cccc1OCc1ccccc1F.
What is the InChIKey of 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide?
The InChIKey is UHNNOCSXNCLUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNOS/c15-10-5-3-7-12(13(10)14(17)19)18-8-9-4-1-2-6-11(9)16/h1-7H,8H2,(H2,17,19).
What are the key properties of 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide?
2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide has a molecular weight of 295.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide is sourced from PubChem (CID 63937150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).