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

C16H14Cl2N2O2S — CID 1340247

IUPAC2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2S/c1-2-22-12-6-4-11(5-7-12)19-16(23)20-15(21)13-8-3-10(17)9-14(13)18/h3-9H,2H2,1H3,(H2,19,20,21,23)
InChIKeyCUFTUSURWIDIQH-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.52
Rot. Bonds4

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

2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide (PubChem CID 1340247) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
PubChem CID1340247
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC Name2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
SMILESCCOc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H14Cl2N2O2S/c1-2-22-12-6-4-11(5-7-12)19-16(23)20-15(21)13-8-3-10(17)9-14(13)18/h3-9H,2H2,1H3,(H2,19,20,21,23)
InChIKeyCUFTUSURWIDIQH-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-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 2396916
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
3-chloro-N-[4-[(4-ethoxybenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629279
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 1014380
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
4-[(4-ethoxybenzoyl)carbamothioylamino]-N-hydroxybenzamide
CID 172645991
4-ethoxy-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 4948819
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4629276
2-[(3-chlorobenzoyl)carbamothioylamino]-N-(4-ethoxyphenyl)benzamide
CID 4941739

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide (CID 1340247) is 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide is CCOc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
The InChIKey is CUFTUSURWIDIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-2-22-12-6-4-11(5-7-12)19-16(23)20-15(21)13-8-3-10(17)9-14(13)18/h3-9H,2H2,1H3,(H2,19,20,21,23).
What are the key properties of 2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide?
2,4-dichloro-N-[(4-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-[(4-ethoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 1340247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).