N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide

C16H14Cl2N2O2S — CID 1227601

IUPACN-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-2-22-11-6-3-5-10(9-11)15(21)20-16(23)19-13-8-4-7-12(17)14(13)18/h3-9H,2H2,1H3,(H2,19,20,21,23)
InChIKeyQGNJRGPZBYZTPC-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.52
Rot. Bonds4

About N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide

N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide (PubChem CID 1227601) has the molecular formula C16H14Cl2N2O2S and a molecular weight of 369.27 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide
PubChem CID1227601
Molecular FormulaC16H14Cl2N2O2S
Molecular Weight369.27 g/mol
Exact Mass368.02
IUPAC NameN-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2S/c1-2-22-11-6-3-5-10(9-11)15(21)20-16(23)19-13-8-4-7-12(17)14(13)18/h3-9H,2H2,1H3,(H2,19,20,21,23)
InChIKeyQGNJRGPZBYZTPC-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

3-ethoxy-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 4957662
N-[(2,3-dichlorophenyl)carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134669
methyl 2-[(3-ethoxybenzoyl)carbamothioylamino]benzoate
CID 4957681
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4636534
2-[(3-ethoxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 4957748
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-3-ethoxybenzamide
CID 4629276
N-[(2-chlorophenyl)methylcarbamothioyl]-3-ethoxybenzamide
CID 17194426
3-(2-ethoxyethoxy)-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 17139885
N-[(3-acetylphenyl)carbamothioyl]-3-ethoxybenzamide
CID 4530802
N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-propoxybenzamide
CID 2283172
3-bromo-N-[(2,3-dichlorophenyl)carbamothioyl]-4-propoxybenzamide
CID 17343043
3,5-dichloro-2-[(3-ethoxybenzoyl)carbamothioylamino]benzoic acid
CID 3280416

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide?
The IUPAC name of N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide (CID 1227601) is N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide?
The InChIKey is QGNJRGPZBYZTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S/c1-2-22-11-6-3-5-10(9-11)15(21)20-16(23)19-13-8-4-7-12(17)14(13)18/h3-9H,2H2,1H3,(H2,19,20,21,23).
What are the key properties of N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide?
N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide 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 N-[(2,3-dichlorophenyl)carbamothioyl]-3-ethoxybenzamide is sourced from PubChem (CID 1227601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).