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

C14H13ClN2OS — CID 61117159

IUPAC4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-19-13-5-3-2-4-12(13)17-14(18)10-7-6-9(16)8-11(10)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyZPTDVSSIFKSZQB-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.90
Rot. Bonds3

About 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide

4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 61117159) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
PubChem CID61117159
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H13ClN2OS/c1-19-13-5-3-2-4-12(13)17-14(18)10-7-6-9(16)8-11(10)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyZPTDVSSIFKSZQB-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

N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
CID 103606441
5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 81317409
5-amino-N-(2-chlorophenyl)-2-fluorobenzamide
CID 43510734
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
CID 61117272
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
N-(2-chloro-4-hydroxyphenyl)-2-methylsulfanylbenzamide
CID 79217596

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide (CID 61117159) is 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is ZPTDVSSIFKSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-19-13-5-3-2-4-12(13)17-14(18)10-7-6-9(16)8-11(10)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide?
4-amino-2-chloro-N-(2-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 4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 61117159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).