4-(2-carbamothioyl-3-chlorophenoxy)benzamide

C14H11ClN2O2S — CID 62495878

IUPAC4-(2-carbamothioyl-3-chlorophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2cccc(Cl)c2C(N)=S)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-10-2-1-3-11(12(10)14(17)20)19-9-6-4-8(5-7-9)13(16)18/h1-7H,(H2,16,18)(H2,17,20)
InChIKeyNDVWMBSHQLQQMQ-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.87
Rot. Bonds4

About 4-(2-carbamothioyl-3-chlorophenoxy)benzamide

4-(2-carbamothioyl-3-chlorophenoxy)benzamide (PubChem CID 62495878) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-(2-carbamothioyl-3-chlorophenoxy)benzamide.

Molecular Properties

Compound Name4-(2-carbamothioyl-3-chlorophenoxy)benzamide
PubChem CID62495878
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name4-(2-carbamothioyl-3-chlorophenoxy)benzamide
SMILESNC(=O)c1ccc(Oc2cccc(Cl)c2C(N)=S)cc1
InChIInChI=1S/C14H11ClN2O2S/c15-10-2-1-3-11(12(10)14(17)20)19-9-6-4-8(5-7-9)13(16)18/h1-7H,(H2,16,18)(H2,17,20)
InChIKeyNDVWMBSHQLQQMQ-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

2-chloro-6-(4-methoxyphenoxy)benzenecarbothioamide
CID 62497049
2-(4-bromophenoxy)-6-chlorobenzamide
CID 62500569
2-chloro-6-(3,5-dimethoxyphenoxy)benzenecarbothioamide
CID 62497559
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarbothioamide
CID 62495368
2-(2-bromophenoxy)-6-chlorobenzenecarbothioamide
CID 55079385
2-chloro-6-(1-methylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116792751
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzenecarbothioamide
CID 81332264
4-(4-carbamoylphenoxy)benzamide
CID 156597124
2-chloro-6-quinolin-3-yloxybenzenecarbothioamide
CID 107387145
2-amino-3-(4-carbamoylphenoxy)benzoic acid
CID 115547056
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
2-bromo-6-(3,4-dichlorophenoxy)benzenecarbothioamide
CID 114882922

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamothioyl-3-chlorophenoxy)benzamide?
The IUPAC name of 4-(2-carbamothioyl-3-chlorophenoxy)benzamide (CID 62495878) is 4-(2-carbamothioyl-3-chlorophenoxy)benzamide.
What is the SMILES notation for 4-(2-carbamothioyl-3-chlorophenoxy)benzamide?
The canonical SMILES for 4-(2-carbamothioyl-3-chlorophenoxy)benzamide is NC(=O)c1ccc(Oc2cccc(Cl)c2C(N)=S)cc1.
What is the InChIKey of 4-(2-carbamothioyl-3-chlorophenoxy)benzamide?
The InChIKey is NDVWMBSHQLQQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c15-10-2-1-3-11(12(10)14(17)20)19-9-6-4-8(5-7-9)13(16)18/h1-7H,(H2,16,18)(H2,17,20).
What are the key properties of 4-(2-carbamothioyl-3-chlorophenoxy)benzamide?
4-(2-carbamothioyl-3-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 4-(2-carbamothioyl-3-chlorophenoxy)benzamide is sourced from PubChem (CID 62495878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).