2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide

C14H13ClN2OS — CID 115539942

IUPAC2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(Cl)c2N)c1
InChIInChI=1S/C14H13ClN2OS/c1-19-10-5-2-4-9(8-10)17-14(18)11-6-3-7-12(15)13(11)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyVEWDVJXYURICHS-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.90
Rot. Bonds3

About 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide

2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 115539942) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
PubChem CID115539942
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cccc(Cl)c2N)c1
InChIInChI=1S/C14H13ClN2OS/c1-19-10-5-2-4-9(8-10)17-14(18)11-6-3-7-12(15)13(11)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyVEWDVJXYURICHS-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(4-methylsulfanylphenyl)benzamide
CID 115539964
2-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
8-chloro-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794846
2-methyl-N-(3-methylsulfanylphenyl)-3-sulfamoylbenzamide
CID 75431966
N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 34829216
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide (CID 115539942) is 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2cccc(Cl)c2N)c1.
What is the InChIKey of 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is VEWDVJXYURICHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-19-10-5-2-4-9(8-10)17-14(18)11-6-3-7-12(15)13(11)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide?
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 292.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 115539942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).