N-[(2-chlorophenyl)carbamothioyl]benzamide

C14H11ClN2OS — CID 692093

IUPACN-[(2-chlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19)
InChIKeyXMAAUITXMKFGNA-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.47
Rot. Bonds2

About N-[(2-chlorophenyl)carbamothioyl]benzamide

N-[(2-chlorophenyl)carbamothioyl]benzamide (PubChem CID 692093) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamothioyl]benzamide
PubChem CID692093
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC NameN-[(2-chlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H11ClN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19)
InChIKeyXMAAUITXMKFGNA-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)-
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N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
N-(4-chlorophenyl)-N'-(2,4-difluorobenzoyl)urea
CID 2823829
N-(((4-Methylphenyl)amino)thioxomethyl)benzamide
CID 2787704
N-(((4-Chlorophenyl)amino)thioxomethyl)benzamide
CID 701011
N-(((2-Methylphenyl)amino)thioxomethyl)benzamide
CID 693365
N-(((2,6-Dichlorophenyl)amino)thioxomethyl)benzamide
CID 702451
2,2'-Dichlorobenzanilide
CID 221407

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2-chlorophenyl)carbamothioyl]benzamide (CID 692093) is N-[(2-chlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)carbamothioyl]benzamide?
The InChIKey is XMAAUITXMKFGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19).
What are the key properties of N-[(2-chlorophenyl)carbamothioyl]benzamide?
N-[(2-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-[(2-chlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 692093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).