N-[(4-chlorophenyl)carbamothioyl]benzamide

C14H11ClN2OS — CID 701011

IUPACN-[(4-chlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
InChIKeyIZEIGTLVMJBUQC-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.47
Rot. Bonds2

About N-[(4-chlorophenyl)carbamothioyl]benzamide

N-[(4-chlorophenyl)carbamothioyl]benzamide (PubChem CID 701011) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamothioyl]benzamide
PubChem CID701011
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC NameN-[(4-chlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
InChIKeyIZEIGTLVMJBUQC-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diflubenzuron
CID 37123
N'-Phenyl-N-benzoylthiourea
CID 728148
Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
(2E)-3-phenyl-N-(2,2,2-trichloro-1-(((4-chlorophenyl)carbamothioyl)amino)ethyl)prop-2-enamide, (2E)-3-phenyl-N-(2,2,2-trichloro-1-((
CID 5717737
1-Benzoyl-3-phenylurea
CID 74566
N-(4-chlorophenyl)-N'-(2,4-difluorobenzoyl)urea
CID 2823829
N-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
N-(((2-Chlorophenyl)amino)thioxomethyl)benzamide
CID 692093
N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
CID 693365
N-(((2,6-Dichlorophenyl)amino)thioxomethyl)benzamide
CID 702451

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(4-chlorophenyl)carbamothioyl]benzamide (CID 701011) is N-[(4-chlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamothioyl]benzamide?
The InChIKey is IZEIGTLVMJBUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-11-6-8-12(9-7-11)16-14(19)17-13(18)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19).
What are the key properties of N-[(4-chlorophenyl)carbamothioyl]benzamide?
N-[(4-chlorophenyl)carbamothioyl]benzamide has a molecular weight of 290.78 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 701011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).