N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide

C15H13ClN2OS — CID 708499

IUPACN-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide
SMILESCc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2OS/c1-10-12(16)8-5-9-13(10)17-15(20)18-14(19)11-6-3-2-4-7-11/h2-9H,1H3,(H2,17,18,19,20)
InChIKeyKMWNKQQKOLZMKW-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.78
Rot. Bonds2

About N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide

N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide (PubChem CID 708499) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide
PubChem CID708499
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC NameN-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide
SMILESCc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2OS/c1-10-12(16)8-5-9-13(10)17-15(20)18-14(19)11-6-3-2-4-7-11/h2-9H,1H3,(H2,17,18,19,20)
InChIKeyKMWNKQQKOLZMKW-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide (CID 708499) is N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide is Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide?
The InChIKey is KMWNKQQKOLZMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-10-12(16)8-5-9-13(10)17-15(20)18-14(19)11-6-3-2-4-7-11/h2-9H,1H3,(H2,17,18,19,20).
What are the key properties of N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide?
N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide has a molecular weight of 304.80 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 708499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).