2-(4-carbamothioyl-2-chlorophenoxy)benzamide

C14H11ClN2O2S — CID 63088987

IUPAC2-(4-carbamothioyl-2-chlorophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C14H11ClN2O2S/c15-10-7-8(14(17)20)5-6-12(10)19-11-4-2-1-3-9(11)13(16)18/h1-7H,(H2,16,18)(H2,17,20)
InChIKeyDUNURQDNXFHYPN-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-carbamothioyl-2-chlorophenoxy)benzamide

2-(4-carbamothioyl-2-chlorophenoxy)benzamide (PubChem CID 63088987) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2-chlorophenoxy)benzamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2-chlorophenoxy)benzamide
PubChem CID63088987
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name2-(4-carbamothioyl-2-chlorophenoxy)benzamide
SMILESNC(=O)c1ccccc1Oc1ccc(C(N)=S)cc1Cl
InChIInChI=1S/C14H11ClN2O2S/c15-10-7-8(14(17)20)5-6-12(10)19-11-4-2-1-3-9(11)13(16)18/h1-7H,(H2,16,18)(H2,17,20)
InChIKeyDUNURQDNXFHYPN-UHFFFAOYSA-N
XLogP2.87
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-phenoxybenzenecarbothioamide
CID 63087310
2-(2-chloro-4-nitrophenoxy)benzamide
CID 9251332
4-(2-chlorophenoxy)-3-fluorobenzenecarbothioamide
CID 43658043
3-chloro-4-naphthalen-2-yloxybenzenecarbothioamide
CID 63519460
2-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81144706
3-chloro-4-(4-fluorophenoxy)benzenecarbothioamide
CID 63087309
3-amino-4-(2-chlorophenoxy)benzamide
CID 43382705
2-(2-amino-5-chlorophenoxy)benzamide
CID 113315871
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
3-chloro-4-(3-chloro-4-fluorophenoxy)benzenecarbothioamide
CID 55256885
3-fluoro-4-(2-fluorophenoxy)benzenecarbothioamide
CID 43658041
2-[(4-carbamothioylphenyl)methoxy]benzamide
CID 24702610

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2-chlorophenoxy)benzamide?
The IUPAC name of 2-(4-carbamothioyl-2-chlorophenoxy)benzamide (CID 63088987) is 2-(4-carbamothioyl-2-chlorophenoxy)benzamide.
What is the SMILES notation for 2-(4-carbamothioyl-2-chlorophenoxy)benzamide?
The canonical SMILES for 2-(4-carbamothioyl-2-chlorophenoxy)benzamide is NC(=O)c1ccccc1Oc1ccc(C(N)=S)cc1Cl.
What is the InChIKey of 2-(4-carbamothioyl-2-chlorophenoxy)benzamide?
The InChIKey is DUNURQDNXFHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-10-7-8(14(17)20)5-6-12(10)19-11-4-2-1-3-9(11)13(16)18/h1-7H,(H2,16,18)(H2,17,20).
What are the key properties of 2-(4-carbamothioyl-2-chlorophenoxy)benzamide?
2-(4-carbamothioyl-2-chlorophenoxy)benzamide has a molecular weight of 306.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2-chlorophenoxy)benzamide is sourced from PubChem (CID 63088987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).