2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide

C17H16Cl2N2O3S — CID 17169954

IUPAC2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCOCCOc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-23-7-8-24-13-4-2-3-12(10-13)20-17(25)21-16(22)14-6-5-11(18)9-15(14)19/h2-6,9-10H,7-8H2,1H3,(H2,20,21,22,25)
InChIKeyVFAACWXVBVIUCA-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.15
Rot. Bonds6

About 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide

2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide (PubChem CID 17169954) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
PubChem CID17169954
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
SMILESCOCCOc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-23-7-8-24-13-4-2-3-12(10-13)20-17(25)21-16(22)14-6-5-11(18)9-15(14)19/h2-6,9-10H,7-8H2,1H3,(H2,20,21,22,25)
InChIKeyVFAACWXVBVIUCA-UHFFFAOYSA-N
XLogP4.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 23100463
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177808
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079524
4-tert-butyl-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169981
3-chloro-N-[(3-hexoxyphenyl)carbamothioyl]benzamide
CID 17094914
(E)-3-(2-chlorophenyl)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17169990
N-[(3-ethoxyphenyl)carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17098406
N-[(3-butoxyphenyl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide
CID 17095167
3-(2-ethoxyethoxy)-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170062

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide (CID 17169954) is 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide is COCCOc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide?
The InChIKey is VFAACWXVBVIUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-23-7-8-24-13-4-2-3-12(10-13)20-17(25)21-16(22)14-6-5-11(18)9-15(14)19/h2-6,9-10H,7-8H2,1H3,(H2,20,21,22,25).
What are the key properties of 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide?
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide has a molecular weight of 399.30 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17169954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).