N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide

C15H13Cl2N3OS — CID 15954830

IUPACN-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2N3OS/c1-9(21)18-12-2-4-13(5-3-12)19-15(22)20-14-7-10(16)6-11(17)8-14/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyWGCRMHOOKRFJGC-UHFFFAOYSA-N
MW354.26 g/mol
LogP4.76
Rot. Bonds3

About N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide

N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide (PubChem CID 15954830) has the molecular formula C15H13Cl2N3OS and a molecular weight of 354.26 g/mol. Its IUPAC name is N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
PubChem CID15954830
Molecular FormulaC15H13Cl2N3OS
Molecular Weight354.26 g/mol
Exact Mass353.02
IUPAC NameN-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2N3OS/c1-9(21)18-12-2-4-13(5-3-12)19-15(22)20-14-7-10(16)6-11(17)8-14/h2-8H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyWGCRMHOOKRFJGC-UHFFFAOYSA-N
XLogP4.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 3608346
N-[4-[(4-bromo-3-chlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954823
N-[4-(methylcarbamothioylamino)phenyl]acetamide
CID 7941957
2-[4-[(4-acetamidophenyl)carbamothioylamino]-2,6-dichlorophenoxy]acetic acid
CID 15907989
N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678459
N-[4-[(3,5-dichloro-4-hydroxy-2-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 15954944
2-(4-acetamido-N-acetylanilino)-N-(3,5-dichlorophenyl)acetamide
CID 113176021
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide
CID 3006462
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248
4-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 1011353
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N'-(3,5-dichlorophenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502099

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide (CID 15954830) is N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
The InChIKey is WGCRMHOOKRFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3OS/c1-9(21)18-12-2-4-13(5-3-12)19-15(22)20-14-7-10(16)6-11(17)8-14/h2-8H,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide?
N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide has a molecular weight of 354.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide is sourced from PubChem (CID 15954830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).