2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide

C16H14Cl2N2O2S — CID 1226903

IUPAC2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2S/c1-2-22-14-6-4-3-5-13(14)19-16(23)20-15(21)11-8-7-10(17)9-12(11)18/h3-9H,2H2,1H3,(H2,19,20,21,23)
InChIKeyHEDYRXYPQMGDLC-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.52
Rot. Bonds4

About 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide

2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide (PubChem CID 1226903) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
PubChem CID1226903
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O2S/c1-2-22-14-6-4-3-5-13(14)19-16(23)20-15(21)11-8-7-10(17)9-12(11)18/h3-9H,2H2,1H3,(H2,19,20,21,23)
InChIKeyHEDYRXYPQMGDLC-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.52
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

2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
2-chloro-N-(2-ethoxyphenyl)-4-fluorobenzamide
CID 2591172
N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355875
N-[(2-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 898993
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 2134804
2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17148411
N-[(2-ethoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944555
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide (CID 1226903) is 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide is CCOc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is HEDYRXYPQMGDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-2-22-14-6-4-3-5-13(14)19-16(23)20-15(21)11-8-7-10(17)9-12(11)18/h3-9H,2H2,1H3,(H2,19,20,21,23).
What are the key properties of 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide?
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide has a molecular weight of 369.27 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1226903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).