2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide

C15H13ClN2O2S — CID 682158

IUPAC2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-20-11-8-6-10(7-9-11)17-15(21)18-14(19)12-4-2-3-5-13(12)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyCOIMXHBNDCCAOO-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide

2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide (PubChem CID 682158) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide
PubChem CID682158
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide
SMILESCOc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClN2O2S/c1-20-11-8-6-10(7-9-11)17-15(21)18-14(19)12-4-2-3-5-13(12)16/h2-9H,1H3,(H2,17,18,19,21)
InChIKeyCOIMXHBNDCCAOO-UHFFFAOYSA-N
XLogP3.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triflumuron
CID 47445
4-Chloro-N-(4-methoxyphenyl)benzamide
CID 221848
2-chloro-N-(4-methoxyphenyl)benzamide
CID 346660
2-Chloro-N-(4-methoxyphenyl)-5-(methylthio)benzamide
CID 847891
4-Chloro-4'-ethoxybenzanilide
CID 587141
2-Chloro-M-benzanisidide
CID 687085
N-{[(4-methoxyphenyl)amino]carbonyl}benzamide
CID 977500
1-(3-Chlorophenyl)-3-(2-methoxybenzoyl)urea
CID 4035462
2-(2,4-dichlorobenzoyl)-N-(2-methoxyphenyl)hydrazinecarbothioamide
CID 1044250
3-(2-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692544
3-ethoxy-N-(phenylcarbamothioyl)benzamide
CID 883514
1-[[(2-Chlorophenyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
CID 978041

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide (CID 682158) is 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide is COc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
The InChIKey is COIMXHBNDCCAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-20-11-8-6-10(7-9-11)17-15(21)18-14(19)12-4-2-3-5-13(12)16/h2-9H,1H3,(H2,17,18,19,21).
What are the key properties of 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide?
2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide has a molecular weight of 320.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methoxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 682158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).