4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide

C17H16Cl2N2O2S — CID 19188853

IUPAC4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-7-9-13(10-8-12)23-11-3-6-16(22)21-17(24)20-15-5-2-1-4-14(15)19/h1-2,4-5,7-10H,3,6,11H2,(H2,20,21,22,24)
InChIKeyPJPCYPPDRSVAFX-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.67
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide

4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide (PubChem CID 19188853) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide
PubChem CID19188853
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC Name4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1)NC(=S)Nc1ccccc1Cl
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-7-9-13(10-8-12)23-11-3-6-16(22)21-17(24)20-15-5-2-1-4-14(15)19/h1-2,4-5,7-10H,3,6,11H2,(H2,20,21,22,24)
InChIKeyPJPCYPPDRSVAFX-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-2-methylphenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide
CID 19188878
N-[(5-chloro-2-methylphenyl)carbamothioyl]-4-(4-chlorophenoxy)butanamide
CID 19188880
N-[(3,5-dichlorophenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188390
4-(4-bromophenoxy)-N-(2-chlorophenyl)butanamide
CID 3674961
4-(4-chlorophenoxy)-N-[(3-methoxyphenyl)carbamothioyl]butanamide
CID 19188819
N-[(2-butoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188363
2-(4-chlorophenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 4632228
methyl 2-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate
CID 19188564
4-phenoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
CID 19188424
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188354
N-[(3,4-dichlorophenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188389
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide (CID 19188853) is 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide is O=C(CCCOc1ccc(Cl)cc1)NC(=S)Nc1ccccc1Cl.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide?
The InChIKey is PJPCYPPDRSVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c18-12-7-9-13(10-8-12)23-11-3-6-16(22)21-17(24)20-15-5-2-1-4-14(15)19/h1-2,4-5,7-10H,3,6,11H2,(H2,20,21,22,24).
What are the key properties of 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide?
4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide has a molecular weight of 383.30 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(2-chlorophenyl)carbamothioyl]butanamide is sourced from PubChem (CID 19188853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).