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

C19H19Cl2N3O3S — CID 17148411

IUPAC2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O3S/c1-27-10-4-9-22-17(25)14-5-2-3-6-16(14)23-19(28)24-18(26)13-8-7-12(20)11-15(13)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,25)(H2,23,24,26,28)
InChIKeyPOPWGFUAVRWQGD-UHFFFAOYSA-N
MW440.35 g/mol
LogP3.89
Rot. Bonds7

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

2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide (PubChem CID 17148411) has the molecular formula C19H19Cl2N3O3S and a molecular weight of 440.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
PubChem CID17148411
Molecular FormulaC19H19Cl2N3O3S
Molecular Weight440.35 g/mol
Exact Mass439.05
IUPAC Name2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
SMILESCOCCCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3O3S/c1-27-10-4-9-22-17(25)14-5-2-3-6-16(14)23-19(28)24-18(26)13-8-7-12(20)11-15(13)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,25)(H2,23,24,26,28)
InChIKeyPOPWGFUAVRWQGD-UHFFFAOYSA-N
XLogP3.89
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 53.89
H-Bond Donors ≤ 53
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-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178653
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
2-chloro-N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134095574
N-butyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 17149477
N-[(2,4-dichlorophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355875
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351252
2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148503
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148501
3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 17148476

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide (CID 17148411) is 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide is COCCCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide?
The InChIKey is POPWGFUAVRWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S/c1-27-10-4-9-22-17(25)14-5-2-3-6-16(14)23-19(28)24-18(26)13-8-7-12(20)11-15(13)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,25)(H2,23,24,26,28).
What are the key properties of 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide?
2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide has a molecular weight of 440.35 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide is sourced from PubChem (CID 17148411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).