4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide

C13H12Cl2N2OS — CID 82832866

IUPAC4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-7-2-3-9(19-7)6-17-13(18)8-4-10(14)12(16)11(15)5-8/h2-5H,6,16H2,1H3,(H,17,18)
InChIKeyWIQJRIPIVLSWLL-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.88
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide

4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 82832866) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID82832866
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-7-2-3-9(19-7)6-17-13(18)8-4-10(14)12(16)11(15)5-8/h2-5H,6,16H2,1H3,(H,17,18)
InChIKeyWIQJRIPIVLSWLL-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.88
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

3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
3-amino-5-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62057200
5-chloro-2-iodo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227109
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-3,5-dinitrobenzamide
CID 87004200
3,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridazine-4-carboxamide
CID 114038484
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 82832866) is 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(Cl)c(N)c(Cl)c2)s1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is WIQJRIPIVLSWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-7-2-3-9(19-7)6-17-13(18)8-4-10(14)12(16)11(15)5-8/h2-5H,6,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide?
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 315.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 82832866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).